Molecule ID: 16248

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

Description: The molecule is a carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfanyl)phenol with the carboxy group of methylcarbamic acid. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a molluscicide, an acaricide, an agrochemical, an avicide, a xenobiotic, an environmental contaminant and an insecticide. It is a carbamate ester and an aryl sulfide. It derives from a methylcarbamic acid and a 3,5-dimethyl-4-(methylsulfanyl)phenol.

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

SELFIES: [C][N][=C][Branch1][C][O][O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][S][C][C][Branch1][C][C][=C][Ring1][#Branch2]

InChI: InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 2.9