1.0 2026-09-22 03:02:31 UTC 2026-09-22 03:02:31 UTC FDB117586 chlorpyrifos diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-lambda5-phosphane diethoxy-thioxo-[(3,5,6-trichloro-2-pyridyl)oxy]-lambda5-phosphane C9H11Cl3NO3PS 350.586 348.926283546 O,O-diethyl O-3,5,6-trichloropyridin-2-yl phosphorothioate terial CCOP(=S)(OCC)OC1=C(Cl)C=C(Cl)C(Cl)=N1 InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3 SBPBAQFWLVIOKP-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl thiophosphates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an aryl group. Aryl thiophosphates Organic compounds Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Aromatic heteromonocyclic compounds 2-halopyridines Aryl chlorides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Polyhalopyridines Thiophosphate triesters 2-halopyridine Aromatic heteromonocyclic compound Aryl chloride Aryl halide Aryl thiophosphate Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyhalopyridine Pyridine Thiophosphate triester Organophosphorus insecticides a small molecule chloropyridine organic thiophosphate logp 5.15 ALOGPS logs -5.38 ALOGPS solubility 1.45e-03 g/l ALOGPS logp 4.78 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac O,O-diethyl O-3,5,6-trichloropyridin-2-yl phosphorothioate ChemAxon average_mass 350.586 ChemAxon mono_mass 348.926283546 ChemAxon smiles CCOP(=S)(OCC)OC1=C(Cl)C=C(Cl)C(Cl)=N1 ChemAxon formula C9H11Cl3NO3PS ChemAxon inchi InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3 ChemAxon inchikey SBPBAQFWLVIOKP-UHFFFAOYSA-N ChemAxon polar_surface_area 40.58 ChemAxon refractivity 79 ChemAxon polarizability 30.4 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 2321 Specdb::NmrOneD 3024 Specdb::EiMs 1277 Specdb::CMs 14196 Specdb::CMs 29695 Specdb::CMs 29753 Specdb::CMs 102277 Specdb::CMs 102278 Specdb::CMs 163097 Specdb::MsMs 108657 Specdb::MsMs 108658 Specdb::MsMs 108659 Specdb::MsMs 175932 Specdb::MsMs 175933 Specdb::MsMs 175934 Specdb::MsMs 443310 Specdb::MsMs 443311 Specdb::MsMs 443312 Specdb::MsMs 443313 Specdb::MsMs 443314 Specdb::MsMs 443315 Specdb::MsMs 443316 Specdb::MsMs 443317 Specdb::MsMs 443318 Specdb::MsMs 443319 Specdb::MsMs 443320 Specdb::MsMs 443321 Specdb::MsMs 443322 Specdb::MsMs 443323 Specdb::MsMs 447572 Specdb::MsMs 452294 Specdb::MsMs 2226813 Specdb::MsMs 2227928 Specdb::MsMs 2234013