Molecule ID: 5353758

IUPAC Name: methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate

Description: The molecule is a carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide, a nematicide, a xenobiotic, an environmental contaminant, an insecticide and an agrochemical. It is a carbamate ester and an aliphatic sulfide. It derives from a methylcarbamic acid and a 1-(methylsulfanyl)acetaldoxime.

SMILES: CN=C(O)O/N=C(\C)SC

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

InChI: InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 0.6