1.0 2010-04-08 22:13:16 UTC 2025-11-19 01:57:53 UTC FDB017733 Kitagine Constituent of Canavalia ensiformis (jack bean) seeds. Kitagine is found in pulses. C11H17O3PS 260.29 260.063602579 diethyl (benzylsulfanyl)phosphonate kitazine CCOP(=O)(OCC)SCC1=CC=CC=C1 InChI=1S/C11H17O3PS/c1-3-13-15(12,14-4-2)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 XFMJUIKWKVJNDY-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organothiophosphorus compounds Sulfenyl compounds Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Organothiophosphorus compound Sulfenyl compound logp 2.33 ALOGPS logs -2.18 ALOGPS solubility 1.73e+00 g/l ALOGPS melting_point Mp 240-242° logp 3.05 ChemAxon pka_strongest_basic -8.2 ChemAxon iupac diethyl (benzylsulfanyl)phosphonate ChemAxon average_mass 260.29 ChemAxon mono_mass 260.063602579 ChemAxon smiles CCOP(=O)(OCC)SCC1=CC=CC=C1 ChemAxon formula C11H17O3PS ChemAxon inchi InChI=1S/C11H17O3PS/c1-3-13-15(12,14-4-2)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 ChemAxon inchikey XFMJUIKWKVJNDY-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 68.71 ChemAxon polarizability 27.04 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94719 Specdb::MsMs 94720 Specdb::MsMs 94721 Specdb::MsMs 158808 Specdb::MsMs 158809 Specdb::MsMs 158810 Specdb::MsMs 3606212 Specdb::MsMs 3606213 Specdb::MsMs 3606214 Specdb::MsMs 3606215 Specdb::MsMs 3606216 Specdb::MsMs 3606217 Pulses Unknown generic