Molecule ID: 17521

IUPAC Name: (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate

Description: The molecule is a carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb. It has a role as a marine xenobiotic metabolite. It is a sulfoxide and a carbamate ester.

SMILES: CN=C(O)Oc1cc(C)c(S(C)=O)c(C)c1

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

InChI: InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 1.5