1.0 2026-09-22 04:05:50 UTC 2026-09-22 04:05:50 UTC FDB117672 Etridiazole 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole C5H5Cl3N2OS 247.53 245.918816603 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole koban CCOC1=NC(=NS1)C(Cl)(Cl)Cl InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3 KQTVWCSONPJJPE-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. Alkyl aryl ethers Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aromatic heteromonocyclic compounds Alkyl chlorides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds Thiadiazoles Alkyl aryl ether Alkyl chloride Alkyl halide Aromatic heteromonocyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Thiadiazole Pesticides aromatic ether organochlorine compound thiadiazole antifungal agent thiadiazoles logp 3.25 ALOGPS logs -3.67 ALOGPS solubility 5.26e-02 g/l ALOGPS logp 3.24 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole ChemAxon average_mass 247.53 ChemAxon mono_mass 245.918816603 ChemAxon smiles CCOC1=NC(=NS1)C(Cl)(Cl)Cl ChemAxon formula C5H5Cl3N2OS ChemAxon inchi InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3 ChemAxon inchikey KQTVWCSONPJJPE-UHFFFAOYSA-N ChemAxon polar_surface_area 35.01 ChemAxon refractivity 51.9 ChemAxon polarizability 20.99 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3529 Specdb::NmrOneD 3665 Specdb::EiMs 1468 Specdb::CMs 103786 Specdb::CMs 120914 Specdb::MsMs 95541 Specdb::MsMs 95542 Specdb::MsMs 95543 Specdb::MsMs 159819 Specdb::MsMs 159820 Specdb::MsMs 159821 Specdb::MsMs 3433290 Specdb::MsMs 3433291 Specdb::MsMs 3433292 Specdb::MsMs 3433293 Specdb::MsMs 3433294 Specdb::MsMs 3433295