1.0 2026-09-22 04:46:39 UTC 2026-09-22 04:46:39 UTC FDB117726 Isazofos (5-chloro-1-isopropyl-1,2,4-triazol-3-yl)oxy-diethoxy-thioxo-lambda5-phosphane (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane C9H17ClN3O3PS 313.741 313.041676334 O-5-chloro-1-(propan-2-yl)-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate O-5-chloro-1-isopropyl-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3 XRHGWAGWAHHFLF-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 Aryl chlorides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Thiophosphate triesters Triazoles 1,2,4-triazole Aromatic heteromonocyclic compound Aryl chloride Aryl halide Aryl thiophosphate Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Thiophosphate triester Organophosphorus insecticides organic thiophosphate logp 3.88 ALOGPS logs -3.67 ALOGPS solubility 6.66e-02 g/l ALOGPS logp 3.48 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac O-5-chloro-1-(propan-2-yl)-1H-1,2,4-triazol-3-yl O,O-diethyl phosphorothioate ChemAxon average_mass 313.741 ChemAxon mono_mass 313.041676334 ChemAxon smiles CCOP(=S)(OCC)OC1=NN(C(C)C)C(Cl)=N1 ChemAxon formula C9H17ClN3O3PS ChemAxon inchi InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3 ChemAxon inchikey XRHGWAGWAHHFLF-UHFFFAOYSA-N ChemAxon polar_surface_area 58.4 ChemAxon refractivity 87.58 ChemAxon polarizability 29.88 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1177 Specdb::CMs 109703 Specdb::CMs 122533 Specdb::MsMs 56103 Specdb::MsMs 56104 Specdb::MsMs 56105 Specdb::MsMs 111447 Specdb::MsMs 111448 Specdb::MsMs 111449 Specdb::MsMs 2226699 Specdb::MsMs 2228044 Specdb::MsMs 2229097 Specdb::MsMs 2230335 Specdb::MsMs 2231417 Specdb::MsMs 2232801 Specdb::MsMs 2235177 Specdb::MsMs 3440422 Specdb::MsMs 3440423 Specdb::MsMs 3440424 Specdb::MsMs 3440425 Specdb::MsMs 3440426 Specdb::MsMs 3440427