1.0 2016-09-30 22:46:54 UTC 2020-04-22 15:08:29 UTC BMDB0001504 BMDB01504 Aminoparathion 4-Aminoparathion Amino-parathion e 605 Reduced O,O-Diethyl O-(4-aminophenyl) phosphorothioate p-Aminoparathion Parathion amino Phosphorothioic acid, O-(4-aminophenyl) O,O-diethyl ester Thiophosphoric acid diethyl 4-aminophenyl ester Thiophosphoric acid O-(4-aminophenyl) O,O-diethyl ester O,O-Diethyl O-(4-aminophenyl) phosphorothioic acid Phosphorothioate, O-(4-aminophenyl) O,O-diethyl ester Thiophosphate diethyl 4-aminophenyl ester Thiophosphate O-(4-aminophenyl) O,O-diethyl ester AP C10H16NO3PS 261.278 261.058850585 O-4-aminophenyl O,O-diethyl phosphorothioate O-4-aminophenyl O,O-diethyl phosphorothioate 3735-01-1 CCOP(=S)(OCC)OC1=CC=C(N)C=C1 InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3 XIZOTXGJXSTQDI-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. Organic compounds Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Phenyl thiophosphates Aniline and substituted anilines Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Phenoxy compounds Primary amines Thiophosphate triesters Amine Aniline or substituted anilines Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Phenyl thiophosphate Primary amine Thiophosphate triester Aromatic homomonocyclic compounds organothiophosphate insecticide Solid water_solubility 0.39 mg/mL logp 2.6 HANSCH,C ET AL. (1995) logp 2.98 ALOGPS logs -3.54 ALOGPS logp 2.55 ChemAxon pka_strongest_basic 3.86 ChemAxon iupac O-4-aminophenyl O,O-diethyl phosphorothioate ChemAxon average_mass 261.278 ChemAxon mono_mass 261.058850585 ChemAxon smiles CCOP(=S)(OCC)OC1=CC=C(N)C=C1 ChemAxon formula C10H16NO3PS ChemAxon inchi InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3 ChemAxon inchikey XIZOTXGJXSTQDI-UHFFFAOYSA-N ChemAxon polar_surface_area 53.71 ChemAxon refractivity 70.06 ChemAxon polarizability 26 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 25388 Specdb::CMs 161640 Specdb::MsMs 322216 Specdb::MsMs 322217 Specdb::MsMs 322218 Specdb::MsMs 370069 Specdb::MsMs 370070 Specdb::MsMs 370071 Specdb::MsMs 2393350 Specdb::MsMs 2393351 Specdb::MsMs 2393352 Specdb::MsMs 2572343 Specdb::MsMs 2572344 Specdb::MsMs 2572345 FDB022660 215 220 C06605 28055 AMINO-PARATHION 6284 Rung, Bruno; Schwack, Wolfgang. Aminoparathion: A highly reactive metabolite of parathion. 1. Reactions with polyphenols and polyphenol oxidase. Journal of Agricultural and Food Chemistry (2005), 53(23), 9140-9145.