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

C₂H₄N₄SCAS 4343-75-3116.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₄N₄S
Molar mass: 116.14 g/mol
Exact mass: 116.0157 Da
logP: -0.35Crippen estimate
Polar surface area: 59.6 Å²
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

4343-75-3

SMILES

C1=NNC(=S)N1N

InChIKey

DLLBXBCKFUPBJE-UHFFFAOYSA-N

InChI

InChI=1S/C2H4N4S/c3-6-1-4-5-2(6)7/h1H,3H2,(H,5,7)

Weigh it out

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

Work with 4-Amino-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-methyl-4H-1,2,4-triazole-3-thiol20939-15-533 % similar 4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol24848-20-231 % similar

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

Same formula

5-Mercapto-1-methyltetrazole13183-79-4 3-Amino-5-mercapto-1,2,4-triazole16691-43-3 1,3,4-Thiadiazole-2,5-diamine2937-81-7 5-Methylthio-1H-tetrazole29515-99-9

Elsewhere

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