Ammonium thioglycolate solution - ~70% in H2O , CAS No.5421-46-5

CAS: 5421-46-5 Cat. No.: A109096 Molecular Weight: 109.15 EC Number: 226-540-9

GRADE & PURITY ~70% in H2O

Synonyms

AMMONIUM THIOGLYCOLATE | Mercaptoacetic acid, monoammonium salt | EINECS 226-540-9 | Acetic acid, mercapto-, monoammonium salt | AKOS015897608 | ammonium sulfanylacetate | USAF MO-2 | DTXSID2027599 | Thiofaco A-50 | ZZTCCAPMZLDHFM-UHFFFAOYSA-N | ammoniumt

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AMMONIUM THIOGLYCOLATE | Mercaptoacetic acid, monoammonium salt | EINECS 226-540-9 | Acetic acid, mercapto-, monoammonium salt | AKOS015897608 | ammonium sulfanylacetate | USAF MO-2 | DTXSID2027599 | Thiofaco A-50 | ZZTCCAPMZLDHFM-UHFFFAOYSA-N | ammoniumt

Specifications & Purity

~70% in H2O

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504753042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753042
• Canonical Smiles: C(C(=O)[O-])S.[NH4+]
• IUPAC Name: azanium;2-sulfanylacetate
• InChIKey: ZZTCCAPMZLDHFM-UHFFFAOYSA-N
• INCHI: 1S/C2H4O2S.H3N/c3-2(4)1-5;/h5H,1H2,(H,3,4);1H3
• Isomeric SMILES: C(C(=O)[O-])S.[NH4+]
• WGK Germany: 3
• RTECS: AI7525000
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 109.15
• Reaxy-Rn: 11213443
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11213443&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: alpha-Mercaptocarboxylic acids
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Alkylthiols Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 2-mercaptocarboxylic acid - Carboxylic acid salt - Monocarboxylic acid or derivatives - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-mercaptocarboxylic acids. These are carboxylic acids that bear a thiol group at the C-2 position. Alpha-mercaptocarboxylic acids have the general formula RC(S)C(=O)O, where R = H, organyl group.
• 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

• Sensitivity: Light sensitive.
• Molecular Weight: 109.150 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 109.02 Da
• Monoisotopic Mass: 109.02 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 37.400
• 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: 2

XLogP3

References

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