Molecule ID: 5364932

IUPAC Name: [(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate

Description: The molecule is a carbamate ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide and an agrochemical. It derives from a methylcarbamic acid and a 3,3-dimethyl-1-(methylsulfanyl)butan-2-one oxime.

SMILES: CN=C(O)O/N=C(/CSC)C(C)(C)C

SELFIES: [C][N][=C][Branch1][C][O][O][/N][=C][Branch1][Ring2][/C][S][C][C][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 2.2