1.0 2010-04-08 22:09:16 UTC 2025-11-18 23:21:39 UTC FDB010712 S-1-Propenyl 1-propanesulfinothioate Constituent of Allium subspecies S-1-Propenyl 1-propanesulfinothioate is found in onion-family vegetables. S-1-Propenyl 1-propanesulfinothioate C6H12OS2 164.289 164.032956386 (1Z)-1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene (1Z)-1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene 119052-98-1 CCCS(=O)S\C=C/C InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3- XLVMWOFYTFNDKM-HYXAFXHYSA-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 1.43 ALOGPS logs -1.29 ALOGPS solubility 8.34e+00 g/l ALOGPS logp 2.24 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac (1Z)-1-[(propane-1-sulfinyl)sulfanyl]prop-1-ene ChemAxon average_mass 164.289 ChemAxon mono_mass 164.032956386 ChemAxon smiles CCCS(=O)S\C=C/C ChemAxon formula C6H12OS2 ChemAxon inchi InChI=1S/C6H12OS2/c1-3-5-8-9(7)6-4-2/h3,5H,4,6H2,1-2H3/b5-3- ChemAxon inchikey XLVMWOFYTFNDKM-HYXAFXHYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 45.28 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::CMs 23312 Specdb::CMs 158230 Specdb::MsIr 5713 Specdb::MsIr 5714 Specdb::NmrOneD 114878 Specdb::NmrOneD 114879 Specdb::NmrOneD 114880 Specdb::NmrOneD 114881 Specdb::NmrOneD 114882 Specdb::NmrOneD 114883 Specdb::NmrOneD 114884 Specdb::NmrOneD 114885 Specdb::NmrOneD 114886 Specdb::NmrOneD 114887 Specdb::NmrOneD 114888 Specdb::NmrOneD 114889 Specdb::NmrOneD 114890 Specdb::NmrOneD 114891 Specdb::NmrOneD 114892 Specdb::NmrOneD 114893 Specdb::NmrOneD 114894 Specdb::NmrOneD 114895 Specdb::NmrOneD 114896 Specdb::NmrOneD 114897 Specdb::MsMs 49377 Specdb::MsMs 49378 Specdb::MsMs 49379 Specdb::MsMs 154425 Specdb::MsMs 154426 Specdb::MsMs 154427 Specdb::MsMs 3041950 Specdb::MsMs 3041951 Specdb::MsMs 3041952 Specdb::MsMs 3098254 Specdb::MsMs 3098255 Specdb::MsMs 3098256 HMDB0032748 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