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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

6 names

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

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

Similar compounds

1,1'-Sulphonylbis-1H-imidazole7189-69-758 % similar Imidazole-1-sulfonic acid dimethyl amine78162-58-052 % similar 1-[(Trifluoromethyl)sulphonyl]-1H-imidazole29540-81-647 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-844 % similar 1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole50257-39-142 % similar 1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole50257-40-440 % similar Imidazole-1-sulfonyl azide hydrochloride952234-36-539 % similar 1-Methylimidazole616-47-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook