chempirical

Enoximone

C12H12N2O2SCAS 77671-31-9248.30 g/mol

Open in Covalent MOL file
SONHOHN
KetonePhenolSulfide

Properties

Molecular formula
C12H12N2O2S
Molar mass
248.30 g/mol
Exact mass
248.0619 Da
Melting point
256 °C (decomposes)
logP
2.38Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
77671-31-9
SMILES
CSc1ccc(C(=O)c2[nH]c(O)nc2C)cc1
InChIKey
ZJKNESGOIKRXQY-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)

Weigh it out

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

Names and synonyms

7 names
  • 2H-Imidazol-2-one, 1,3-dihydro-4-methyl-5-[4-(methylthio)benzoyl]-
  • 1,3-Dihydro-4-methyl-5-[4-(methylthio)benzoyl]-2H-imidazol-2-one
  • MDL 17043
  • Fenoximone
  • RMI 17043
  • Perfan
  • Perfane

Work with Enoximone

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

4-(Methylthio)benzoic acid13205-48-641 % similar 1-[4-(Methylthio)phenyl]ethanone1778-09-239 % similar 4-(Methylthio)phenol1073-72-933 % similar 4-(Methylthio)benzeneacetic acid16188-55-933 % similar 4-Benzoyl-4′-methyldiphenyl sulfide83846-85-932 % similar Methyl p-tolyl sulfide623-13-231 % similar 4,4'-Dimethylbenzophenone611-97-230 % similar 4,4′-Dihydroxybenzophenone611-99-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,3'-Sulphonyldianiline599-61-1 Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate64399-23-1 Dapsone80-08-0 3-Amino-N-phenylbenzenesulfonamide80-21-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook