1.0 2011-09-21 00:17:16 UTC 2015-10-09 22:31:55 UTC FDB022638 Diethylthiophosphate Diethylthiophosphate is the most frequent metabolite of organophosphorus (OP) found in urine (PMID 15050412). Organophosphorus compounds are widely used as pesticides because of easy degradation in the environment. Acute OP intoxication results from blockage of the decomposition of synaptic acetylcholine because the pesticide covalently binds to chlolinesterase (PMID 11991535). Chronic exposure to POs has neurological sequelae as well (PMID 8179040) and data suggests that OP exposure alters sperm chromatin condensation (PMID 15050412) [HMDB] DETP Diethylthioate Diethylthioic acid Diethylthioorate Diethylthiooric acid Diethylthiophosphate Diethylthiophosphic acid Diethylthiophosphorate Diethylthiophosphoric acid O,O-Diethyl orothionate O,O-diethyl phosphorothionate C4H11O3PS 170.167 170.01665142 diethoxy(sulfanylidene)phosphinous acid DETP 5871-17-0 CCOP(O)(=S)OCC InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) PKUWKAXTAVNIJR-UHFFFAOYSA-N belongs to the class of organic compounds known as thiophosphate diesters. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where exactly two R-groups are organyl groups. Thiophosphate diesters Organic compounds Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Aliphatic acyclic compounds Hydrocarbon derivatives Organooxygen compounds Aliphatic acyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Thiophosphate diester organic thiophosphate Solid logp 1.22 ALOGPS logs -1.45 ALOGPS solubility 6.06e+00 g/l ALOGPS logp 1.34 ChemAxon pka_strongest_acidic 2.86 ChemAxon iupac diethoxy(sulfanylidene)phosphinous acid ChemAxon average_mass 170.167 ChemAxon mono_mass 170.01665142 ChemAxon smiles CCOP(O)(=S)OCC ChemAxon formula C4H11O3PS ChemAxon inchi InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9) ChemAxon inchikey PKUWKAXTAVNIJR-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 41.1 ChemAxon polarizability 15.97 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 8854 Specdb::CMs 146880 Specdb::NmrTwoD 1652 Specdb::NmrOneD 1711 Specdb::NmrOneD 96138 Specdb::NmrOneD 96139 Specdb::NmrOneD 96140 Specdb::NmrOneD 96141 Specdb::NmrOneD 96142 Specdb::NmrOneD 96143 Specdb::NmrOneD 96144 Specdb::NmrOneD 96145 Specdb::NmrOneD 96146 Specdb::NmrOneD 96147 Specdb::NmrOneD 96148 Specdb::NmrOneD 96149 Specdb::NmrOneD 96150 Specdb::NmrOneD 96151 Specdb::NmrOneD 96152 Specdb::NmrOneD 96153 Specdb::NmrOneD 96154 Specdb::NmrOneD 96155 Specdb::NmrOneD 96156 Specdb::NmrOneD 96157 Specdb::NmrOneD 166571 Specdb::NmrOneD 166572 Specdb::MsIr 1286 Specdb::MsIr 1287 Specdb::MsIr 1288 Specdb::MsMs 1586 Specdb::MsMs 1587 Specdb::MsMs 1588 Specdb::MsMs 5322 Specdb::MsMs 5323 Specdb::MsMs 5324 Specdb::MsMs 5325 Specdb::MsMs 5326 Specdb::MsMs 262242 Specdb::MsMs 262243 Specdb::MsMs 262244 Specdb::MsMs 282174 Specdb::MsMs 282175 Specdb::MsMs 282176 Specdb::MsMs 437584 Specdb::MsMs 437585 Specdb::MsMs 437586 Specdb::MsMs 437587 Specdb::MsMs 437588 Specdb::MsMs 2782990 Specdb::MsMs 2782991 Specdb::MsMs 2782992 Specdb::MsMs 2926729 Specdb::MsMs 2926730 Specdb::MsMs 2926731 HMDB01460 DPJ #<Reference:0x000055ce3237c688> #<Reference:0x000055ce3237c480> #<Reference:0x000055ce3237c250> #<Reference:0x000055ce3237c048> #<Reference:0x000055ce3237be40> #<Reference:0x000055ce3237bc60> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Serum paraoxonase/arylesterase 1 P27169 PON1 Serum paraoxonase/arylesterase 2 Q15165 PON2 Serum paraoxonase/lactonase 3 Q15166 PON3