chempirical

5-(Methylthio)-1H-1,2,4-triazol-3-amine

C3H6N4SCAS 45534-08-5130.17 g/mol

Open in Covalent MOL file
SNNHNHHN
Sulfide

Properties

Molecular formula
C3H6N4S
Molar mass
130.17 g/mol
Exact mass
130.0313 Da
Melting point
135 °C
logP
-0.06Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Identifiers

CAS number
45534-08-5
SMILES
CSc1nc(=N)[nH][nH]1
InChIKey
XGWWZKBCQLBJNH-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N4S/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)

Weigh it out

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

Names and synonyms

11 names
  • 1H-1,2,4-Triazol-3-amine, 5-(methylthio)-
  • s-Triazole, 3-amino-5-(methylthio)-
  • 3-Amino-5-(methylthio)-1,2,4-triazole
  • NSC 178858
  • [5-(Methylsulfenyl)-1H-[1,2,4]triazol-3-yl]amine
  • 3-Amino-5-methylsulfanyl-1,2,4-triazole
  • 3-Methylthio-5-amino-1,2,4-triazole
  • 5-(Methylthio)-4H-1,2,4-triazol-3-amine
  • 3-Amino-5-methylthio-1H-1,2,4-triazole
  • 3-(Methylthio)-1,2,4-triazol-5-amine
  • 3-Methylsulfanyl-1H-1,2,4-triazol-5-amine

Work with 5-(Methylthio)-1H-1,2,4-triazol-3-amine

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

3-Amino-5-mercapto-1,2,4-triazole16691-43-339 % similar 6-Chloro-2-(methylthio)pyrimidin-4-amine1005-38-537 % similar 2-(Methylthio)-4,6-pyrimidinediamine1005-39-637 % similar 2-(Methylthio)benzimidazole7152-24-135 % similar Simetryn1014-70-632 % similar

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

Same formula

1-Ethyl-1,2-dihydro-5H-tetrazole-5-thione15217-53-5 5-Ethylthio-1H-tetrazole89797-68-2

Elsewhere

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