1H-1,2,3-Triazole-4-thiol sodium salt

C₂H₂N₃NaSCAS 59032-27-8123.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₂N₃NaS
Molar mass: 123.11 g/mol
Exact mass: 122.9867 Da
logP: -0.29Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Identifiers

CAS number

59032-27-8

SMILES

Sc1cnn[n-]1.[Na+]

InChIKey

LWBZAWFABLYPDP-UHFFFAOYSA-N

InChI

InChI=1S/C2H3N3S.Na/c6-2-1-3-5-4-2;/h1H,(H2,3,4,5,6);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1H-1,2,3-Triazole-5-thiol, sodium salt (1:1)
1H-1,2,3-Triazole-4-thiol, monosodium salt
5-Mercapto-1H-1,2,3-triazole sodium salt
4-Mercapto-1,2,3-triazole sodium salt
Sodium 1H-1,2,3-triazole-4-thiolate
Sodium 1H-1,2,3-triazol-5-ylsulfanide

Work with 1H-1,2,3-Triazole-4-thiol sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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