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

C₁₂H₁₄N₂O₂SCAS 50257-39-1250.32 g/mol

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Properties

Molecular formula: C₁₂H₁₄N₂O₂S
Molar mass: 250.32 g/mol
Exact mass: 250.0776 Da
Melting point: 99–101 °C
logP: 2.05Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

50257-39-1

SMILES

Cc1cc(C)c(S(=O)(=O)n2ccnc2)c(C)c1

InChIKey

XFHVQSPNDDOABS-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)14-5-4-13-8-14/h4-8H,1-3H3

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Names and synonyms

4 names

1H-Imidazole, 1-[(2,4,6-trimethylphenyl)sulfonyl]-
NSC 240873
1-(2,4,6-Trimethylphenyl)sulfonylimidazole
1-(Mesitylsulfonyl)-1H-imidazole

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

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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