1.0 2010-04-08 22:15:22 UTC 2025-11-19 02:34:42 UTC FDB020954 (E)-S-1-Propenyl thiosulfate Constituent of Allium cepa (onion). (E)-S-1-Propenyl thiosulfate is found in garden onion and onion-family vegetables. C3H6O3S2 154.208 153.975835438 [(1E)-prop-1-en-1-ylsulfanyl]sulfonic acid (1E)-prop-1-en-1-ylsulfanylsulfonic acid C\C=C\SS(O)(=O)=O InChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+ RUVGQUCSWPRGRF-NSCUHMNNSA-N belongs to the class of organic compounds known as sulfenyl compounds. These are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl). Sulfenyl compounds Organic compounds Organosulfur compounds Sulfenyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Sulfenyl compound logp -0.99 ALOGPS logs -1.21 ALOGPS solubility 9.57e+00 g/l ALOGPS logp 0.79 ChemAxon pka_strongest_acidic -1.6 ChemAxon iupac [(1E)-prop-1-en-1-ylsulfanyl]sulfonic acid ChemAxon average_mass 154.208 ChemAxon mono_mass 153.975835438 ChemAxon smiles C\C=C\SS(O)(=O)=O ChemAxon formula C3H6O3S2 ChemAxon inchi InChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2-3H,1H3,(H,4,5,6)/b3-2+ ChemAxon inchikey RUVGQUCSWPRGRF-NSCUHMNNSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 34.16 ChemAxon polarizability 13.34 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20952 Specdb::CMs 160895 Specdb::MsIr 9140 Specdb::MsIr 9141 Specdb::MsIr 9142 Specdb::MsMs 312640 Specdb::MsMs 312641 Specdb::MsMs 312642 Specdb::MsMs 357949 Specdb::MsMs 357950 Specdb::MsMs 357951 Specdb::MsMs 2266011 Specdb::MsMs 2266012 Specdb::MsMs 2266013 Specdb::MsMs 3076863 Specdb::MsMs 3076864 Specdb::MsMs 3076865 Specdb::NmrOneD 44682 Specdb::NmrOneD 44683 Specdb::NmrOneD 44684 Specdb::NmrOneD 44685 Specdb::NmrOneD 44686 Specdb::NmrOneD 44687 Specdb::NmrOneD 44688 Specdb::NmrOneD 44689 Specdb::NmrOneD 44690 Specdb::NmrOneD 44691 Specdb::NmrOneD 44692 Specdb::NmrOneD 44693 Specdb::NmrOneD 44694 Specdb::NmrOneD 44695 Specdb::NmrOneD 44696 Specdb::NmrOneD 44697 Specdb::NmrOneD 44698 Specdb::NmrOneD 44699 Specdb::NmrOneD 44700 Specdb::NmrOneD 44701 HMDB0041079 Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875