Molecule ID: 62020

IUPAC Name: S-benzyl N,N-dipropylcarbamothioate

Description: The molecule is a monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom. It has a role as an environmental contaminant, a xenobiotic and a herbicide. It is a member of benzenes and a monothiocarbamic ester.

SMILES: CCCN(CCC)C(=O)SCc1ccccc1

SELFIES: [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3

Molecular Properties:
- Polar Surface Area: 45.6 Ų
- LogP: 3.9