Sodium Hydroxymethanesulfinate Dihydrate - ≥98% , CAS No.6035-47-8

CAS: 6035-47-8 Cat. No.: R110955 Molecular Weight: 154.12 Beilstein Registry Number: 3630814 EC Number: 611-965-8 PubChem CID: 23666330

GRADE & PURITY ≥98%

Synonyms

Methanesulfinic acid, hydroxy-, monosodium salt, dihydrate | sodium formaldehyde sulfoxylate dihydrate | Q27289335 | UNII-SQ4705447D | AKOS022186504 | Metribuzin 200 microg/mL in Methanol | EN300-1697657 | FT-0696356 | Q15274561 | Tox21_110585_1 | Hydroxy

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Methanesulfinic acid, hydroxy-, monosodium salt, dihydrate | sodium formaldehyde sulfoxylate dihydrate | Q27289335 | UNII-SQ4705447D | AKOS022186504 | Metribuzin 200 microg/mL in Methanol | EN300-1697657 | FT-0696356 | Q15274561 | Tox21_110585_1 | Hydroxy

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(O)S(=O)[O-].O.O.[Na+]
• IUPAC Name: sodium;hydroxymethanesulfinate;dihydrate
• InChIKey: UCWBKJOCRGQBNW-UHFFFAOYSA-M
• INCHI: 1S/CH4O3S.Na.2H2O/c2-1-5(3)4;;;/h2H,1H2,(H,3,4);;2*1H2/q;+1;;/p-1
• Isomeric SMILES: C(O)S(=O)[O-].O.O.[Na+]
• WGK Germany: 1
• RTECS: PB0380000
• Alternate CAS: 149-44-0
• PubChem CID: 23666330
• Molecular Weight: 154.12
• Beilstein: 3630814
• Reaxy-Rn: 3630814

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Sulfinic acids and derivatives
      • Subclass Alkanesulfinic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Sulfinic acids and derivatives
• Subclass: Alkanesulfinic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanesulfinic acids
• Alternative Parents: Organosulfur compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfinic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkanesulfinic acids. These are organosulfur compounds containing an aliphatic group attached to a sulfinic acid group (or a derivative thereof), with the general formula RSO2R' (R= alkyl, R'=H).
• External Descriptors: Not available

Data sources

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: solubility :H2O: 50 mg/mL, clear, colorless
• Sensitivity: Hygroscopic
• Melt Point(°C): 64-68℃
• Molecular Weight: 154.120 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 153.991 Da
• Monoisotopic Mass: 153.991 Da
• Topological Polar Surface Area: 81.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.100
• 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

XLogP3

References

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