chempirical

3-Mercapto-1,2,4-triazole

C2H3N3SCAS 3179-31-5101.13 g/mol

Open in Covalent MOL file
HSNNHN
Thiol

Properties

Molecular formula
C2H3N3S
Molar mass
101.13 g/mol
Exact mass
101.0048 Da
Melting point
216 °C
logP
0.09Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
3179-31-5
SMILES
Sc1nc[nH]n1
InChIKey
AFBBKYQYNPNMAT-UHFFFAOYSA-N
InChI
InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)

Weigh it out

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

Names and synonyms

27 names · show all
  • 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-
  • s-Triazole-3-thiol
  • δ2-1,2,4-Triazoline-5-thione
  • 1,2-Dihydro-3H-1,2,4-triazole-3-thione
  • 4H-1,2,4-Triazole-3-thiol
  • 1,2,4-Triazole-3-thiol
  • 5-Mercapto-1,3,4-triazole
  • ENT 61291
  • 1,3,4-Triazole-2-thiol
  • 1,2,4-Triazole-5-thiol
  • 1H-1,2,4-Triazole-3-thiol
  • 2-Mercapto-1,3,4-triazole
  • 3(5)-Mercapto-1,2,4-triazole
  • 3-Mercapto-4H-1,2,4-triazole
  • 2-Mercapto-1,3,5-triazole
  • 3-Mercapto-s-triazole
  • 1,2,4-Triazole-3(5)-thiol
  • 3-MT
  • 3-Mercapto-1H-1,2,4-triazole
  • NSC 97089
  • 1H-1,2,4-Triazole-5-thiol
  • 2H-1,2,4-Triazole-3-thiol
  • (4H)-1,2,4-Triazole-2-thiol
  • 1H-1,2,4-Triazole-5(4H)-thione
  • 1,2,4-1H-Triazole-3-thiol
  • 1,2-Dihydro-1,2,4-triazole-3-thione
  • 2,4-Dihydro-[1,2,4]triazole-3-thione

Work with 3-Mercapto-1,2,4-triazole

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

Similar compounds

5-Chloro-1H-1,2,4-triazole6818-99-143 % similar 3-Methyl-1,2,4-triazole7170-01-642 % similar 2,4-Dihydro-3H-1,2,4-triazol-3-one930-33-642 % similar 1,2,4-Triazole-3-carboxylic acid hydrazide21732-98-939 % similar 1,2,4-Triazole-3-carboxylic acid4928-87-438 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-937 % similar 2-Mercaptopyrimidine1450-85-735 % similar 3-Nitro-1,2,4-triazole24807-55-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3,4-Thiadiazol-2-amine4005-51-0 1,2,3-Thiadiazol-5-amine4100-41-8

Elsewhere

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