1.0 2016-09-30 22:46:19 UTC 2020-04-22 15:08:18 UTC BMDB0001460 BMDB01460 Diethylthiophosphate DETP Diethylthiophosphoric acid Diethylthiophosphorate O,O-Diethyl phosphorothionate O,O-Diethyl phosphorothionate, ammonium salt O,O-Diethyl phosphorothionate, sodium salt O,O-Diethyl phosphorothioate O,O-Diethyl phosphorothionate, potassium salt Diethylthiophosphate O,O-Diethyl hydrogen thiophosphoric acid 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. Organic compounds Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Thiophosphate diesters Hydrocarbon derivatives Organooxygen compounds Aliphatic acyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Thiophosphate diester Aliphatic acyclic compounds organic thiophosphate Solid logp 1.22 ALOGPS logs -1.45 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 number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1286 Specdb::MsIr 1287 Specdb::MsIr 1288 Specdb::NmrTwoD 1652 Specdb::CMs 8854 Specdb::CMs 146880 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 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 635 655 FDB022638 C06607 DB07674 28006 6256