1.0 2010-04-08 22:09:16 UTC 2025-11-18 23:21:39 UTC FDB010713 S-Propyl 1-propenesulfinothioate Constituent of Allium subspecies S-Propyl 1-propenesulfinothioate is found in onion-family vegetables. S-Propyl 1-propenesulfinothioate C6H12OS2 164.289 164.032956386 1-{[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}propane 1-{[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}propane 143063-27-8 CCCSS(=O)\C=C/C InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4- PQPRIQKDDOEUMO-XQRVVYSFSA-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 Hydrocarbon derivatives Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organosulfur compound Sulfenyl compound Sulfinyl compound Thiosulfinic acid ester logp 1.75 ALOGPS logs -1.28 ALOGPS solubility 8.55e+00 g/l ALOGPS logp 2.44 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 1-{[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}propane ChemAxon average_mass 164.289 ChemAxon mono_mass 164.032956386 ChemAxon smiles CCCSS(=O)\C=C/C ChemAxon formula C6H12OS2 ChemAxon inchi InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h4,6H,3,5H2,1-2H3/b6-4- ChemAxon inchikey PQPRIQKDDOEUMO-XQRVVYSFSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 45.17 ChemAxon polarizability 17.38 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 101697 Specdb::MsMs 101698 Specdb::MsMs 101699 Specdb::MsMs 167358 Specdb::MsMs 167359 Specdb::MsMs 167360 Specdb::MsMs 2384990 Specdb::MsMs 2384991 Specdb::MsMs 2384992 Specdb::MsMs 2577603 Specdb::MsMs 2577604 Specdb::MsMs 2577605 Specdb::MsIr 5715 Specdb::MsIr 5716 Specdb::CMs 26194 Specdb::CMs 147415 Specdb::NmrOneD 114898 Specdb::NmrOneD 114899 Specdb::NmrOneD 114900 Specdb::NmrOneD 114901 Specdb::NmrOneD 114902 Specdb::NmrOneD 114903 Specdb::NmrOneD 114904 Specdb::NmrOneD 114905 Specdb::NmrOneD 114906 Specdb::NmrOneD 114907 Specdb::NmrOneD 114908 Specdb::NmrOneD 114909 Specdb::NmrOneD 114910 Specdb::NmrOneD 114911 Specdb::NmrOneD 114912 Specdb::NmrOneD 114913 Specdb::NmrOneD 114914 Specdb::NmrOneD 114915 Specdb::NmrOneD 114916 Specdb::NmrOneD 114917 HMDB0032749 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