Molecule ID: 8607

IUPAC Name: 2-(trichloromethylsulfanyl)isoindole-1,3-dione

Description: The molecule is a member of the class of phthalimides that is phthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethylthio group. An agricultural fungicide, it has been used to control mildew, leaf spot, and other diseases in crops sice the 1950s. It has a role as an antifungal agrochemical. It is an organochlorine compound, an organosulfur compound and a phthalimide fungicide. It derives from a phthalimide.

SMILES: O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl

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

InChI: InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H

Molecular Properties:
- Polar Surface Area: 62.7 Ų
- LogP: 2.8