chempirical

4-Amino-5-methyl-4H-1,2,4-triazole-3-thiol

C3H6N4SCAS 20939-15-5130.17 g/mol

Open in Covalent MOL file
NNHSNNH2
Primary amine

Properties

Molecular formula
C3H6N4S
Molar mass
130.17 g/mol
Exact mass
130.0313 Da
logP
-0.04Crippen estimate
Polar surface area
59.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20939-15-5
SMILES
CC1=NNC(=S)N1N
InChIKey
KBKNKJFPVHUXCW-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N4S/c1-2-5-6-3(8)7(2)4/h4H2,1H3,(H,6,8)

Weigh it out

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

Work with 4-Amino-5-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

4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol24848-20-248 % similar 4-Amino-3,5-dimethyl-1,2,4-triazole3530-15-241 % similar 4-Amino-4H-1,2,4-triazole-3-thiol4343-75-333 % 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-(Methylthio)-1H-1,2,4-triazol-3-amine45534-08-5 5-(Ethylthio)-1H-tetrazole89797-68-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook