Molecule ID: 29697

IUPAC Name: S-ethyl N-[3-(dimethylamino)propyl]carbamothioate

Description: The molecule is a monothiocarbamic ester that is ethanethiol in which the hydrogen attached to the sulfur is replaced by a [3-(dimethylamino)propyl]carbamoyl group. Formerly used (generally as the hydrochloride salt) as an agricultural fungicide, it is not approved for use within the European Union. It has a role as an antifungal agrochemical. It is a monothiocarbamic ester and a tertiary amino compound.

SMILES: CCSC(O)=NCCCN(C)C

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

InChI: InChI=1S/C8H18N2OS/c1-4-12-8(11)9-6-5-7-10(2)3/h4-7H2,1-3H3,(H,9,11)

Molecular Properties:
- Polar Surface Area: 57.6 Ų
- LogP: 1.2