1.0 2026-09-22 16:25:43 UTC 2026-09-22 16:25:43 UTC FDB118517 Methidathion 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one C6H11N2O4PS3 302.331 301.961855432 O,O-dimethyl {[(5-methoxy-2-oxo-2,3-dihydro-1,3,4-thiadiazol-3-yl)methyl]sulfanyl}phosphonothioate O,O-dimethyl [(5-methoxy-2-oxo-1,3,4-thiadiazol-3-yl)methyl]sulfanylphosphonothioate COC1=NN(CSP(=S)(OC)OC)C(=O)S1 InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 MEBQXILRKZHVCX-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3,4-thiadiazol-3-yl-organothiophosphates. These are aromatic heterocyclic compounds containing a 1,3,4-thiadiazole ring, which is substituted at the 2-position with an organothiophosphate group. 1,3,4-thiadiazol-3-yl-organothiophosphates Organic compounds Organoheterocyclic compounds Azoles Thiadiazoles Aromatic heteromonocyclic compounds Alkyl aryl ethers Azacyclic compounds Dithiophosphate O-esters Dithiophosphate S-esters Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Organothiophosphorus compounds Sulfenyl compounds 1,3,4-thiadiazol-3-yl-organothiophosphate Alkyl aryl ether Aromatic heteromonocyclic compound Azacycle Dithiophosphate o-ester Dithiophosphate s-ester Ether Heteroaromatic compound Hydrocarbon derivative Organic dithiophosphate Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Organothiophosphorus compound Sulfenyl compound Organophosphorus insecticides organic thiophosphate organothiophosphate insecticide logp 1.18 ALOGPS logs -2.17 ALOGPS solubility 2.04e+00 g/l ALOGPS logp 2.29 ChemAxon pka_strongest_basic -9.8 ChemAxon iupac O,O-dimethyl {[(5-methoxy-2-oxo-2,3-dihydro-1,3,4-thiadiazol-3-yl)methyl]sulfanyl}phosphonothioate ChemAxon average_mass 302.331 ChemAxon mono_mass 301.961855432 ChemAxon smiles COC1=NN(CSP(=S)(OC)OC)C(=O)S1 ChemAxon formula C6H11N2O4PS3 ChemAxon inchi InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 ChemAxon inchikey MEBQXILRKZHVCX-UHFFFAOYSA-N ChemAxon polar_surface_area 60.36 ChemAxon refractivity 70.01 ChemAxon polarizability 26.97 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 106854 Specdb::CMs 119123 Specdb::EiMs 1361 Specdb::NmrOneD 3600 Specdb::NmrOneD 3729 Specdb::MsMs 101994 Specdb::MsMs 101995 Specdb::MsMs 101996 Specdb::MsMs 167706 Specdb::MsMs 167707 Specdb::MsMs 167708 Specdb::MsMs 2252601 Specdb::MsMs 2253861 Specdb::MsMs 2256748 Specdb::MsMs 2257824 Specdb::MsMs 2258735 Specdb::MsMs 2259859 Specdb::MsMs 3443947 Specdb::MsMs 3443948 Specdb::MsMs 3443949 Specdb::MsMs 3443950 Specdb::MsMs 3443951 Specdb::MsMs 3443952