Imidazole-1-sulfonic acid dimethyl amine

C₅H₉N₃O₂SCAS 78162-58-0175.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₉N₃O₂S
Molar mass: 175.21 g/mol
Exact mass: 175.0415 Da
logP: -0.46Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 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

78162-58-0

SMILES

CN(C)S(=O)(=O)N1C=CN=C1

InChIKey

YRRWNBMOJMMXQY-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N3O2S/c1-7(2)11(9,10)8-4-3-6-5-8/h3-5H,1-2H3

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Names and synonyms

1 names

N,N-Dimethyl-1H-imidazole-1-sulfonamide

Work with Imidazole-1-sulfonic acid dimethyl amine

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-imidazole7189-69-752 % similar 1-(Methylsulfonyl)-1H-imidazole40736-26-352 % similar N,N-Dimethyl 4-iodo-1H-imidazole-1-sulfonamide135773-25-047 % similar 1-[(Trifluoromethyl)sulphonyl]-1H-imidazole29540-81-647 % similar 1-(p-Toluenesulfonyl)imidazole2232-08-841 % similar 1-((2,4,6-Trimethylphenyl)sulphonyl)-1H-imidazole50257-39-139 % similar 1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole50257-40-437 % similar Imidazole-1-sulfonyl azide hydrochloride952234-36-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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