1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:01 UTC FDB010717 S-1-Propenyl 2-propenesulfinothioate Constituent of Allium subspecies S-1-Propenyl 2-propenesulfinothioate is found in onion-family vegetables. S-1-Propenyl 2-propenesulfinothioate C6H10OS2 162.273 162.017306322 (1Z)-1-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene (1Z)-1-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene 134568-42-6 C\C=C\SS(=O)CC=C InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-5H,2,6H2,1H3/b5-3+ UALJWNWDDJRJTL-HWKANZROSA-N belongs to the class of organic compounds known as thiosulfinic acid esters. These are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR' (R, R'=alkyl, aryl). Thiosulfinic acid esters Organic compounds Organic acids and derivatives Thiosulfinic acid esters Aliphatic acyclic compounds Allyl sulfur compounds Hydrocarbon derivatives Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Allyl sulfur compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organosulfur compound Sulfenyl compound Sulfinyl compound Thiosulfinic acid ester logp 2.17 ChemAxon pka_strongest_basic -5.8 ChemAxon iupac (1Z)-1-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene ChemAxon average_mass 162.273 ChemAxon mono_mass 162.017306322 ChemAxon smiles C\C=C\SS(=O)CC=C ChemAxon formula C6H10OS2 ChemAxon inchi InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-5H,2,6H2,1H3/b5-3+ ChemAxon inchikey UALJWNWDDJRJTL-HWKANZROSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 45.17 ChemAxon polarizability 16.42 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5723 Specdb::MsIr 5724 Specdb::CMs 24224 Specdb::CMs 150249 Specdb::MsMs 79398 Specdb::MsMs 79399 Specdb::MsMs 79400 Specdb::MsMs 139986 Specdb::MsMs 139987 Specdb::MsMs 139988 Specdb::MsMs 2682291 Specdb::MsMs 2682292 Specdb::MsMs 2682293 Specdb::MsMs 3027285 Specdb::MsMs 3027286 Specdb::MsMs 3027287 HMDB32751 #<Reference:0x000055ce3183db50> 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