chempirical

4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol

C3H3F3N4SCAS 24848-20-2184.14 g/mol

Open in Covalent MOL file
NNHSNH2NFFF
Alkyl halidePrimary amine

Properties

Molecular formula
C3H3F3N4S
Molar mass
184.14 g/mol
Exact mass
184.0031 Da
logP
0.67Crippen 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
24848-20-2
SMILES
C1(=NNC(=S)N1N)C(F)(F)F
InChIKey
CTUZXHZTENNONS-UHFFFAOYSA-N
InChI
InChI=1S/C3H3F3N4S/c4-3(5,6)1-8-9-2(11)10(1)7/h7H2,(H,9,11)

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Names and synonyms

1 names
  • 4-Amino-5-trifluoromethyl-4H-1,2,4-triazole-3-thiol

Work with 4-Amino-5-(trifluoromethyl)-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-thiol20939-15-548 % similar 3,5-Bis(trifluoromethyl)pyrazole14704-41-731 % similar 4-Amino-4H-1,2,4-triazole-3-thiol4343-75-331 % similar

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

Elsewhere

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