1.0 2026-09-22 04:30:28 UTC 2026-09-22 04:30:28 UTC FDB117705 FENITROTHION dimethoxy-(3-methyl-4-nitro-phenoxy)-thioxo-lambda5-phosphane dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-lambda5-phosphane C9H12NO5PS 277.234 277.017379701 O,O-dimethyl O-3-methyl-4-nitrophenyl phosphorothioate O,O-dimethyl O-3-methyl-4-nitrophenyl phosphorothioate COP(=S)(OC)OC1=CC=C(C(C)=C1)N(=O)=O InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3 ZNOLGFHPUIJIMJ-UHFFFAOYSA-N belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group. Phenyl thiophosphates Organic compounds Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Aromatic homomonocyclic compounds Hydrocarbon derivatives Nitroaromatic compounds Nitrobenzenes Nitrotoluenes Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Thiophosphate triesters Allyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compound Benzenoid C-nitro compound Hydrocarbon derivative Monocyclic benzene moiety Nitroaromatic compound Nitrobenzene Nitrotoluene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Phenyl thiophosphate Propargyl-type 1,3-dipolar organic compound Thiophosphate triester Toluene C-nitro compound Organophosphorus insecticides a small molecule organic thiophosphate logp 3.31 ALOGPS logs -4.07 ALOGPS solubility 2.37e-02 g/l ALOGPS logp 3.12 ChemAxon iupac O,O-dimethyl O-3-methyl-4-nitrophenyl phosphorothioate ChemAxon average_mass 277.234 ChemAxon mono_mass 277.017379701 ChemAxon smiles COP(=S)(OC)OC1=CC=C(C(C)=C1)N(=O)=O ChemAxon formula C9H12NO5PS ChemAxon inchi InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3 ChemAxon inchikey ZNOLGFHPUIJIMJ-UHFFFAOYSA-N ChemAxon polar_surface_area 73.51 ChemAxon refractivity 68.23 ChemAxon polarizability 24.74 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 160 Specdb::CMs 12531 Specdb::CMs 28792 Specdb::CMs 29754 Specdb::CMs 102281 Specdb::CMs 102282 Specdb::CMs 160002 Specdb::MsMs 76098 Specdb::MsMs 76099 Specdb::MsMs 76100 Specdb::MsMs 135855 Specdb::MsMs 135856 Specdb::MsMs 135857 Specdb::MsMs 2329188 Specdb::MsMs 2329189 Specdb::MsMs 2329190 Specdb::MsMs 2635966 Specdb::MsMs 2635967 Specdb::MsMs 2635968