Molecule ID: 91688

IUPAC Name: 4,5-dichloro-2-octyl-1,2-thiazol-3-one

Description: The molecule is a 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide. It has a role as an environmental contaminant, a xenobiotic and a fungicide. It is an organochlorine compound and a member of 1,2-thiazoles.

SMILES: CCCCCCCCn1sc(Cl)c(Cl)c1=O

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

InChI: InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3

Molecular Properties:
- Polar Surface Area: 45.6 Ų
- LogP: 5.1