1-[(2,4,6-Trimethylphenyl)sulfonyl]-1H-1,2,4-triazole

C₁₁H₁₃N₃O₂SCAS 54230-59-0251.30 g/mol

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Properties

Molecular formula: C₁₁H₁₃N₃O₂S
Molar mass: 251.30 g/mol
Exact mass: 251.0728 Da
logP: 1.44Crippen estimate
Polar surface area: 64.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

54230-59-0

SMILES

Cc1cc(C)c(S(=O)(=O)n2cncn2)c(C)c1

InChIKey

XNKYPZJMRHXJJQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3O2S/c1-8-4-9(2)11(10(3)5-8)17(15,16)14-7-12-6-13-14/h4-7H,1-3H3

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Names and synonyms

4 names

1H-1,2,4-Triazole, 1-[(2,4,6-trimethylphenyl)sulfonyl]-
1-(2,4,6-Trimethylphenyl)sulfonyl-1,2,4-triazole
1-(Mesitylsulfonyl)-1H-1,2,4-triazole
1-(Mesitylen-2-sulfonyl)-1H-1,2,4-triazole

Work with 1-[(2,4,6-Trimethylphenyl)sulfonyl]-1H-1,2,4-triazole

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

Elsewhere

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