chempirical

4-Methyl-4H-1,2,4-triazole-3-thiol

C3H5N3SCAS 24854-43-1115.15 g/mol

Open in Covalent MOL file
NNNHS
Thiol

Properties

Molecular formula
C3H5N3S
Molar mass
115.15 g/mol
Exact mass
115.0204 Da
Melting point
163–165 °C
logP
0.10Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
24854-43-1
SMILES
Cn1cnnc1S
InChIKey
AGWWTUWTOBEQFE-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N3S/c1-6-2-4-5-3(6)7/h2H,1H3,(H,5,7)

Weigh it out

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

Names and synonyms

13 names · show all
  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-
  • δ2-1,2,4-Triazoline-5-thione, 4-methyl-
  • 4H-1,2,4-Triazole-3-thiol, 4-methyl-
  • 2,4-Dihydro-4-methyl-3H-1,2,4-triazole-3-thione
  • 2-Mercapto-1-methyl-1,3,4-triazole
  • 3-Mercapto-4-methyl-1,2,4-triazole
  • 3-Mercapto-4-methyl-4H-1,2,4-triazole
  • 4-Methyl-3-mercapto-1,2,4-triazole
  • 4-Methyl-1,2,4-triazole-3-thiol
  • 4-Methyl-3-mercapto-4H-1,2,4-triazole
  • 1-Methyl-2-mercapto-1H-1,3,4-triazole
  • 2-Mercapto-1-methyl-1H-[1,3,4]triazole
  • 4-Methyl-1,2,4-triazolethione

Work with 4-Methyl-4H-1,2,4-triazole-3-thiol

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

Methimazole60-56-043 % similar 5-Mercapto-1-methyltetrazole13183-79-434 % similar 4-Methyl-5-(pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol3652-32-231 % similar 4-(4-Cyclopropyl-1-naphthalenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione1533519-84-430 % similar 5-Chloro-1-methyl-1H-imidazole872-49-130 % similar

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

Same formula

2-Amino-5-methyl-1,3,4-thiadiazole108-33-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook