1-(Methylsulfonyl)-1H-imidazole

C₄H₆N₂O₂SCAS 40736-26-3146.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆N₂O₂S
Molar mass: 146.16 g/mol
Exact mass: 146.0150 Da
Melting point: 189–190 °C
logP: -0.31Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

40736-26-3

SMILES

CS(=O)(=O)n1ccnc1

InChIKey

ZBHRCOWHFHJZFP-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names

1H-Imidazole, 1-(methylsulfonyl)-
N-Methanesulfonylimidazole
1-Methanesulfonylimidazole
1-(Methylsulfonyl)imidazole
1-Methanesulfonyl-1H-imidazole

Work with 1-(Methylsulfonyl)-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

Same formula

2-Aminothiazoline-4-carboxylic acid2150-55-2

Elsewhere

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