5-Mercapto-1H-1,2,3-triazole Sodium Salt - ≥95% , CAS No.59032-27-8

CAS: 59032-27-8 Cat. No.: M139045 Molecular Weight: 123.11 EC Number: 261-568-5

GRADE & PURITY ≥95%

Synonyms

AKOS034834170 | MFCD00044799 | EN300-7412931 | sodium (1H-1,2,3-triazol-5-yl)sulfanide | 1H-5-Mercapto-1,2,3-triazole,sodium salt | AKOS015918208 | SCHEMBL10973179 | Sodium 1,2,3-triazole-5-thiolate | AKOS015897346 | M0847 | W-105348 | EN300-99196 | sodiu

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS034834170 | MFCD00044799 | EN300-7412931 | sodium (1H-1, 2, 3-triazol-5-yl)sulfanide | 1H-5-Mercapto-1, 2, 3-triazole, sodium salt | AKOS015918208 | SCHEMBL10973179 | Sodium 1, 2, 3-triazole-5-thiolate | AKOS015897346 | M0847 | W-105348 | EN300-99196 | sodiu

Specifications & Purity

≥95%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769658
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769658
• Canonical Smiles: C1=NNN=C1[S-].[Na+]
• IUPAC Name: sodium;2H-triazole-4-thiolate
• InChIKey: HHGMADGROXARPN-UHFFFAOYSA-M
• INCHI: 1S/C2H3N3S.Na/c6-2-1-3-5-4-2;/h1H,(H2,3,4,5,6);/q;+1/p-1
• Isomeric SMILES: C1=NNN=C1[S-].[Na+]
• Molecular Weight: 123.11
• Reaxy-Rn: 35187983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35187983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - 1,2,3-triazole - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
• 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: Soluble in water
• Sensitivity: light & Moisture sensitive
• Molecular Weight: 123.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 122.987 Da
• Monoisotopic Mass: 122.987 Da
• Topological Polar Surface Area: 42.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 52.200
• 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

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