Molecule ID: 31072

IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate

Description: The molecule is a member of the class of imidazoles that is methimazole in which the nitrogen bearing a hydrogen is converted into its ethoxycarbonyl derivative. A prodrug for methimazol, carbimazole is used for the treatment of hyperthyroidism. It has a role as a prodrug and an antithyroid drug. It is a carbamate ester and a member of 1,3-dihydroimidazole-2-thiones.

SMILES: CCOC(=O)n1ccn(C)c1=S

SELFIES: [C][C][O][C][=Branch1][C][=O][N][C][=C][N][Branch1][C][C][C][Ring1][=Branch1][=S]

InChI: InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3

Molecular Properties:
- Polar Surface Area: 64.9 Ų
- LogP: 0.7