Alkali metal thiophosphate - Inorganic sodium salt - Inorganic oxide - Inorganic salt
Descrizione
This compound belongs to the class of inorganic compounds known as alkali metal thiophosphates. These are inorganic compounds in which the largest oxoanion is thiophosphate, and in which the heaviest atom not in an oxoanion is an alkali metal.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare
180.010 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
179.9 Da
Monoisotopic Mass
179.9 Da
Topological Polar Surface Area
101.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
53.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
4
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Recensioni
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Application Protocols
No item-specific, validated application protocols are provided for SKU S1041630. The following general guidance may help in preparing aqueous reagent solutions:
Stock solution preparation (general):
Weigh the required mass quickly (if hygroscopic) and dissolve in deionized water to desired molarity (e.g., 0.1–1.0 M depending on solubility and use).
Adjust pH to neutral/mildly basic (pH 7.5–9.0) if needed. Avoid strong acids.
Filter (0.22–0.45 µm) to remove particulates for sensitive assays.
Quality checks:
Record pH and conductivity; optionally analyze by 31P NMR or IC to confirm anion identity and rule out disproportionation/oxidation.
Storage of solutions:
Prepare fresh when possible. If storage is necessary, keep refrigerated in tightly sealed, inerted containers and monitor periodically for pH drift or precipitation.
For detailed, use-case-specific protocols (e.g., ester synthesis, coordination assembly), consult primary literature and adapt to your exact thiophosphate salt identity.
Biological Roles
This product is supplied for research use only. No medical or clinical claims are made.
General biochemical context (literature):
Thiophosphate groups are used as mechanistic probes in enzymology. Replacement of a non-bridging phosphoryl oxygen with sulfur alters charge distribution and metal ion coordination, enabling discrimination in kinase, phosphatase, and nuclease studies when thiophosphate esters are present in substrates.
Metal binding: Sulfur substitution increases affinity for soft metal ions (e.g., Cd2+, Hg2+ vs Mg2+), which can modulate enzyme–substrate interactions in vitro when thiophosphate esters are employed.
Signal readouts: In kinase assays, thiophosphorylation is often achieved using ATPγS followed by alkylation of thiophosphate moieties for detection; inorganic sodium thiophosphate is typically not the transferring agent in these workflows but may serve as a sulfur/phosphorus control in solution studies.
Note: The exact biological behavior depends on the molecular form (mono-/di-/tetrathiophosphate) and counterions. Verify compatibility with your enzymes and buffers, and screen metal ion composition to avoid unintended complexation or inhibition.
Buffer Applications
Sodium thiophosphate is not a conventional buffering agent with a widely adopted pKa window like phosphate, Tris, or HEPES. Accordingly:
Typical use: Not commonly used as a primary buffer. It may be incorporated into aqueous media as a reagent or additive when P–S functionality is desired.
pH considerations (general): Solutions are often prepared in water and adjusted with NaOH/acid as needed, but avoid strong acidification due to risk of H2S formation.
Compatibility: Evaluate interactions with divalent cations (Mg2+, Ca2+, transition metals), as thiophosphate species can chelate or precipitate depending on the anion form and concentration.
For routine buffering needs, select established buffers (phosphate, Tris, MOPS, HEPES) and add sodium thiophosphate separately if required for your chemistry.
Green Alternatives
Context: Choosing thiophosphate vs other sulfur donors or phosphorus reagents can impact EHS, waste, and process robustness. Consider the following when designing greener routes.
Potential alternatives and trade-offs (general literature):
Thiosulfate (Na2S2O3): Aqueous, low odor, widely available; strong nucleophile/reductant but lacks P functionality—cannot directly form thiophosphate esters.
Sodium sulfide (Na2S/NaHS): High atom economy for sulfurization; however, strong odor, H2S hazard, and air sensitivity reduce its green profile.
Phosphate buffers with separate sulfur donors (e.g., thiourea, thioacetic acid): Modular control over P and S; may increase step count but simplify waste segregation.
Organosolv alternatives (if using organic media): Favor water or bio-based solvents (e.g., 2-MeTHF) when compatible; note that inorganic salts generally prefer water.
Process intensification
Aqueous reactions at ambient temperature with sodium thiophosphate can reduce VOC use versus organic sulfurization protocols.
Electrosynthesis or flow addition of thiophosphate solutions can limit excess reagent and improve safety.
Comparison snapshot (qualitative):
Sodium thiophosphate: aqueous handling, low volatility, manageable odor; potential H2S release under acid, inorganic salt waste.
Sodium sulfide: strong nucleophile, high odor/toxicity risks, sulfide-rich effluent.
Thiosulfate: benign profile, strong reductant, different reactivity space.
Optimize neutral pH, minimize acid workups, and implement sulfide scrubbers when scaling to improve green metrics.
Pharmaceutical Uses
For research use only; not for use in humans or animals.
Excipient status: Sodium thiophosphate salts are not common pharmacopeial excipients. Where phosphorus–sulfur functionality is required in process development or analytical mimics, small-scale research applications may employ thiophosphate solutions.
Role in analytics: Can serve as a reference or stressor in forced degradation or reactivity mapping studies to probe sulfurization susceptibility of actives or excipients (screening-level only).
Materials interface: Inorganics containing P–S can interact with metal surfaces; caution is advised for stainless systems to avoid corrosion artifacts in development equipment.
No pharmacopeial monograph or dosage-form guidance is implied. Validate purity, related species, and bioburden for any GMP-adjacent work, and segregate from clinical manufacturing streams.
Physical Properties
Item-specific values were not supplied. Do not treat the following as specifications for SKU S1041630; they are literature/general expectations for sodium thiophosphate salts. Always consult the CoA for your lot.
Appearance (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
Melting point / decomposition: Many thiophosphate salts decompose before clear melting; literature reports decomposition on heating with H2S evolution depending on composition (general literature).
Solubility (general literature):
Water: Many sodium thiophosphates are water-soluble to highly water-soluble; solubility may increase with temperature and hydration.
Alcohols: Typically lower solubility in lower alcohols; practically insoluble in nonpolar solvents.
Density: Not specified for this item; refer to CoA/Spec Sheet.
pKa/pKb (general literature): Thiophosphoric acids are polyprotic; pKa values vary widely with thio-substitution (monothio vs tetrathio). Salt basicity in water is moderate due to anionic charge and hydrolysis.
Hygroscopicity (general observation): Many sodium chalcogenophosphates show moisture sensitivity and may be hygroscopic; exact behavior depends on lattice water.
Stability (general): Stable under ambient conditions when dry; hydrolysis to thiospecies and phosphate derivatives may occur in strongly acidic conditions or on prolonged exposure to moisture/heat.
If precise numerical values are required (e.g., MW, hydration number, water content), refer to the CoA/Spec Sheet for this SKU.
Quality and Grades
Grade/purity (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
Guidance on interpreting grades (general):
Analytical/Reagent Grade: Typically indicates low levels of common inorganic impurities and suitability for general analytical work.
High-Purity/Inorganic Trace Grade: Intended for trace metal–sensitive applications (e.g., catalysis, electrochemistry); metal content and anion purity are controlled.
Biochemical Grade: Emphasizes low bioburden/organic contaminants; used in enzymology or labeling workflows when background sulfur species must be controlled.
What to check on the CoA for sodium thiophosphate salts:
Exact anion identity (e.g., mono-/di-/tetrathiophosphate), sodium stoichiometry (mono/di/tri-sodium), and hydration state (xH2O).
Assay basis (on anhydrous basis vs as-is).
Inorganics: sulfate, sulfite, thiosulfate, chloride, phosphate/phosphite as potential related species.
Residual water (loss on drying), pH of a defined aqueous solution, and insoluble matter.
If relevant to your application: trace metals, UV absorbance profile (for spectroscopic assays), microbial limits.
Stabilizers/antioxidants: Not typically used for inorganic salts of this type; if any stabilizer or anti-caking agent is present, it will be declared on the CoA/Spec Sheet.
Reaction and Applications
Applications below are general literature use-cases for sodium thiophosphate salts; confirm suitability with your exact salt identity and purity.
Formation of thiophosphate esters
Alcohols and halides can be converted to O-thiophosphates under appropriate activation (e.g., via POCl3/thiation strategies or by using thiophosphate salts under dehydrating conditions). These esters are useful as leaving groups or biochemical probes after further elaboration.
Sulfurization/thiation chemistry
As a sulfur-phosphorus source, thiophosphate anions participate in nucleophilic substitutions at activated electrophiles, introducing P–S functionality. In some protocols, thiophosphate is a safer, aqueous-compatible alternative to gaseous H2S or thiols.
Coordination and materials chemistry
Thiophosphate anions act as soft, polydentate ligands to transition metals, enabling synthesis of metal–chalcogenophosphate clusters and frameworks. Resulting materials can exhibit interesting optical or catalytic properties (general literature).
Biochemical systems (conceptual)
Thiophosphate groups are recognized differently by some enzymes and can be leveraged in mechanistic studies (e.g., thiophosphate esters or thiophosphorylated intermediates as probes). Note that many enzymology protocols specifically use nucleotide thiophosphates (e.g., ATPγS) rather than inorganic thiophosphate salts; adapt accordingly.
Practical tips
Control pH to maintain anion integrity; avoid strong acids (H2S evolution) and strong oxidants (over-oxidation to sulfate-like species).
Use freshly prepared solutions; filter if particulates form. Validate stoichiometry when precise phosphorus/sulfur balance is crucial.
Reaction Conditions
The following guidance is generic and should be optimized for the exact sodium thiophosphate salt and substrate class.
Media: Water or water–alcohol mixtures; for low-solubility substrates, phase-transfer catalysis (PTC; e.g., quaternary ammonium salts) can enhance rates in biphasic systems.
pH: Neutral to mildly basic (pH 7.5–10) to maintain nucleophilicity while minimizing acid-promoted H2S evolution.
Temperature: Ambient to 60 °C commonly used in substitution chemistry; higher temperatures risk hydrolysis/decomposition—monitor by 31P NMR/IC.
Atmosphere: Air-tolerant in many cases; deoxygenation (N2/Ar) can improve stability for long reactions or sensitive substrates.
Stoichiometry: 1.1–2.0 equivalents relative to electrophile as a starting point; adjust based on reactivity and PTC use.
Workup: Neutralization then aqueous extraction or direct crystallization; avoid strong acid quench. Sulfur scrubbers for off-gas if acid is present.
Analytics: 31P NMR provides rapid speciation insight (P=S vs P–O); ion chromatography for anion balance; ICP for metals if coordination chemistry is involved.
Illustrative outcomes (literature, qualitative):
Alkyl tosylate + sodium thiophosphate (PTC, 40–60 °C) → corresponding O-thiophosphate ester in moderate to good yields with minimal over-alkylation when water content and base are controlled.
These are general guidelines and not specifications; verify conditions experimentally.
Safety and Handling
GHS classification (item-specific): Not specified for this item; refer to SDS.
Signal word / H-statements / pictograms (item-specific): Not specified for this item; refer to SDS.
General safety considerations for sodium thiophosphate salts (literature/analogy):
Hazards
May cause irritation to eyes, skin, and respiratory tract.
Acidification can liberate hydrogen sulfide (H2S) or other reduced sulfur species—ensure good ventilation and avoid contact with acids.
Thermal decomposition may emit toxic sulfur- and phosphorus-containing fumes.
Handling
Work in a fume hood when handling powders or when reactions may generate gases.
Avoid moisture ingress unless using aqueous solutions deliberately.
Use clean, dry tools; minimize dust formation.
PPE
Safety glasses or goggles, lab coat, and chemical-resistant gloves (e.g., nitrile). For dusty operations, consider a particulate respirator as per institutional policy.
Incompatibilities (general)
Strong acids (risk of H2S release), strong oxidizers (exothermic oxidation of sulfides/thiophosphates), and strong reducing agents in combination with acids.
First-aid overview (summary; defer to SDS)
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Skin/eye contact: Rinse with plenty of water; remove contaminated clothing; seek medical attention for persistent irritation.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Research use only: Not for human or animal therapeutic or diagnostic use.
Solvent Selection
As an inorganic sodium salt, sodium thiophosphate is used predominantly in aqueous media. Choice of solvent is dictated by the specific anion form and your application.
Polarity and miscibility (general):
Water: Primary solvent; many sodium thiophosphates dissolve readily. Ionic strength and pH influence solubility.
Polar protic solvents (MeOH, EtOH): Limited solubility; often used only for rinsing or co-solvent at low percentages with water.
Polar aprotic (DMSO, DMF): Some salts may dissolve, but hydrolytic stability and downstream compatibility should be assessed.
Nonpolar solvents: Generally insoluble.
Practical tips
Prepare fresh aqueous solutions to minimize slow hydrolysis or redox drift of reduced sulfur.
Buffer choice matters: avoid strongly acidic buffers (risk of H2S release) and manage ionic strength for biochemical assays.
For moisture-sensitive solid handling (if hygroscopic), weigh rapidly and cap promptly.
When to choose alternatives
If sulfur-free phosphate behavior is desired, use sodium phosphate buffers.
For softer nucleophilic sulfur without phosphorus, thiosulfate or sulfide may be preferred (different reactivity/selectivity).
Small comparison (general):
Sodium thiophosphate vs sodium thiosulfate: thiophosphate provides P–S functionality useful in forming thiophosphate esters; thiosulfate is a sulfur nucleophile and reductant but lacks phosphorus and gives different coordination/derivatization chemistry.
Storage and Reconstitution
Storage conditions (item-specific): Room temperature (as provided). Store tightly closed in a dry place, protected from acids and oxidizers. If hygroscopic, minimize moisture exposure.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution/preparation (general guidance):
Solid handling: Bring container to ambient temperature before opening to avoid condensation. Weigh quickly and reseal promptly.
Solution preparation: Dissolve in deionized water with gentle stirring. Adjust pH only if necessary, avoiding strong acidification. Use freshly prepared solutions for highest stability.
Filtration: If a clear solution is required, filter through 0.22–0.45 µm membrane after dissolution.
Stability notes (general):
Avoid prolonged exposure to heat and strong light. Do not store near acids to prevent H2S formation from accidental contact.
For long-term storage of solutions, prefer refrigerated, inert-atmosphere containers and monitor by pH or 31P NMR/IC if critical.
Research Use Note: For research use only.
Structure and Identity
Brief overview: “Sodium thiophosphate” commonly denotes sodium salts of thiophosphoric acids featuring P–S and/or P=S bonds. Several stoichiometries exist in the literature (e.g., monothiophosphate, dithiophosphate, orthothiophosphate analogs), so users should confirm the exact anion and hydration for their lot.
Item-specific identifiers from Product Data:
CAS: 10101-88-9 (as provided)
InChIKey: 317029 (note: not a standard 27-character InChIKey; verify on CoA/SDS)
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Structural features (general chemistry, literature):
Thiophosphate families contain a pentavalent phosphorus center bonded to sulfur (P=S) and/or P–S− linkages; oxygen substitution varies with anion type (e.g., PO3S3−, PS4 3−).
Common motifs include tetrahedral phosphorus with mixed chalcogen coordination; counter-cations are Na+.
Possible hydration or basicity (mono/di/tri-sodium) impacts charge balance and crystallography.
2D structure (described, general):
Central P(V) atom in a near-tetrahedral environment bearing combinations of terminal P=S and bridging/terminal P–S(−) or P–O(−) bonds; sodium cations coordinate ionically to chalcogen atoms in the lattice.
Note: Because multiple sodium thiophosphate salts exist, confirm exact structural identity (anion composition, hydration, basicity) in the product’s CoA.
Synthetic Utility
Functional group profile (general): Thiophosphate anions combine nucleophilic sulfur with a phosphoryl center, enabling access to O-, S-, and mixed anhydride derivatives. This dual character allows modular construction of thiophosphate esters and coordination complexes.
Representative transformations (literature):
Nucleophilic substitution on activated alkyl halides or sulfonates to form thiophosphate esters under biphasic or phase-transfer conditions.
Coupling with diols/ polyols to generate thiophosphate diesters for materials or probe synthesis.
Metal-mediated assembly of chalcogenophosphate clusters (e.g., Cu, Ag, Zn) where thiophosphate acts as a bridging, soft donor ligand.
Retrosynthetic value:
Serves as a direct source of P–S functionality, bypassing separate phosphorylation and sulfurization steps in some sequences.
Useful handle for downstream oxidation state tuning at sulfur (e.g., sulfoxide/sulfone analogs via controlled oxidation of thioesters in certain systems).
Selectivity and control:
pH controls speciation and nucleophilicity; neutral to mildly basic conditions generally favor substitution while minimizing acid-promoted H2S release.
Competing hydrolysis to phosphate- or thio-oxo species may occur; use freshly prepared, deoxygenated aqueous solutions when necessary.
Verify the precise anion identity and counterion content to select conditions and stoichiometry appropriately.
Target Specificity
Not applicable. Sodium thiophosphate is a small inorganic salt and not an affinity reagent or biologic. No antigen/epitope/clone/isotype information applies to this product.
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