1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:01 UTC FDB010710 (Z)-S-Methyl 1-propenesulfinothioate Constituent of Allium subspecies (Z)-S-Methyl 1-propenesulfinothioate is found in onion-family vegetables. (Z)-S-Methyl 1-propenesulfinothioate C4H8OS2 136.236 136.001656258 {[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}methane {[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}methane 134568-43-7 CSS(=O)\C=C/C InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3- LXYFYPXBSIMFKX-ARJAWSKDSA-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 0.66 ALOGPS logs -0.85 ALOGPS solubility 1.94e+01 g/l ALOGPS logp 1.66 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac {[(1Z)-prop-1-ene-1-sulfinyl]sulfanyl}methane ChemAxon average_mass 136.236 ChemAxon mono_mass 136.001656258 ChemAxon smiles CSS(=O)\C=C/C ChemAxon formula C4H8OS2 ChemAxon inchi InChI=1S/C4H8OS2/c1-3-4-7(5)6-2/h3-4H,1-2H3/b4-3- ChemAxon inchikey LXYFYPXBSIMFKX-ARJAWSKDSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 35.93 ChemAxon polarizability 13.41 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5709 Specdb::MsIr 5710 Specdb::CMs 22824 Specdb::CMs 163960 Specdb::NmrOneD 114838 Specdb::NmrOneD 114839 Specdb::NmrOneD 114840 Specdb::NmrOneD 114841 Specdb::NmrOneD 114842 Specdb::NmrOneD 114843 Specdb::NmrOneD 114844 Specdb::NmrOneD 114845 Specdb::NmrOneD 114846 Specdb::NmrOneD 114847 Specdb::NmrOneD 114848 Specdb::NmrOneD 114849 Specdb::NmrOneD 114850 Specdb::NmrOneD 114851 Specdb::NmrOneD 114852 Specdb::NmrOneD 114853 Specdb::NmrOneD 114854 Specdb::NmrOneD 114855 Specdb::NmrOneD 114856 Specdb::NmrOneD 114857 Specdb::MsMs 58659 Specdb::MsMs 58660 Specdb::MsMs 58661 Specdb::MsMs 114645 Specdb::MsMs 114646 Specdb::MsMs 114647 Specdb::MsMs 2262037 Specdb::MsMs 2262038 Specdb::MsMs 2262039 Specdb::MsMs 3079695 Specdb::MsMs 3079696 Specdb::MsMs 3079697 HMDB32746 #<Reference:0x000055ce32d62eb8> 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