Molecule ID: 17432

IUPAC Name: 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

Description: The molecule is a member of the class of thiadiazoles that is 1,2,4-thiadiazole which is substituted at positions 3 and 5 by trichloromethyl and ethoxy groups, respectively. A fungicide, it has been used particularly for the control of Phytophthora and Pythium species in soils. It has a role as an antifungal agrochemical and a nitrification inhibitor. It is an aromatic ether, a member of thiadiazoles, an organochlorine compound and a thiadiazole antifungal agent.

SMILES: CCOc1nc(C(Cl)(Cl)Cl)ns1

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

InChI: InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3

Molecular Properties:
- Polar Surface Area: 63.2 Ų
- LogP: 2.5