4-Ethyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

C₁₀H₁₁N₃SCAS 26131-61-3205.28 g/mol

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Properties

Molecular formula: C₁₀H₁₁N₃S
Molar mass: 205.28 g/mol
Exact mass: 205.0674 Da
logP: 2.63Crippen estimate
Polar surface area: 33.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

26131-61-3

SMILES

CCN1C(=NNC1=S)C2=CC=CC=C2

InChIKey

TWQMMYPNEWSRLM-UHFFFAOYSA-N

InChI

InChI=1S/C10H11N3S/c1-2-13-9(11-12-10(13)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14)

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Names and synonyms

1 names

4-Ethyl-5-phenyl-1,2,4-triazole-3-thiol

Work with 4-Ethyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

1-Ethyl-2-phenyl-1H-indole13228-39-237 % similar 4-Methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol68744-66-137 % similar 9-Ethylcarbazole86-28-234 % similar 1-Ethyl-2-methyl-1H-benzimidazole5805-76-533 % similar 5-Amino-3-methyl-4-phenylpyrazole60419-81-032 % similar 3-Methyl-5-phenylpyrazole3347-62-431 % similar

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

Elsewhere

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