1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:01 UTC FDB010711 (Z)-S-1-Propenyl methanesulfinothioate Constituent of onion (Allium cepa), garlic (Allium sativum) and other Allium subspecies (Z)-S-1-Propenyl methanesulfinothioate is found in garden onion, garlic, and onion-family vegetables. C4H8OS2 136.236 136.001656258 (1Z)-1-(methanesulfinylsulfanyl)prop-1-ene (1Z)-1-(methanesulfinylsulfanyl)prop-1-ene 119052-99-2 C\C=C/SS(C)=O InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3-4H,1-2H3/b4-3- FCQZRAVPZFRUNA-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 0.74 ALOGPS logs -0.87 ALOGPS solubility 1.84e+01 g/l ALOGPS logp 1.31 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac (1Z)-1-(methanesulfinylsulfanyl)prop-1-ene ChemAxon average_mass 136.236 ChemAxon mono_mass 136.001656258 ChemAxon smiles C\C=C/SS(C)=O ChemAxon formula C4H8OS2 ChemAxon inchi InChI=1S/C4H8OS2/c1-3-4-6-7(2)5/h3-4H,1-2H3/b4-3- ChemAxon inchikey FCQZRAVPZFRUNA-ARJAWSKDSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 36.09 ChemAxon polarizability 13.35 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14044 Specdb::CMs 169049 Specdb::MsIr 5711 Specdb::MsIr 5712 Specdb::NmrOneD 114858 Specdb::NmrOneD 114859 Specdb::NmrOneD 114860 Specdb::NmrOneD 114861 Specdb::NmrOneD 114862 Specdb::NmrOneD 114863 Specdb::NmrOneD 114864 Specdb::NmrOneD 114865 Specdb::NmrOneD 114866 Specdb::NmrOneD 114867 Specdb::NmrOneD 114868 Specdb::NmrOneD 114869 Specdb::NmrOneD 114870 Specdb::NmrOneD 114871 Specdb::NmrOneD 114872 Specdb::NmrOneD 114873 Specdb::NmrOneD 114874 Specdb::NmrOneD 114875 Specdb::NmrOneD 114876 Specdb::NmrOneD 114877 Specdb::MsMs 101946 Specdb::MsMs 101947 Specdb::MsMs 101948 Specdb::MsMs 167652 Specdb::MsMs 167653 Specdb::MsMs 167654 Specdb::MsMs 2756314 Specdb::MsMs 2756315 Specdb::MsMs 2756316 Specdb::MsMs 2953437 Specdb::MsMs 2953438 Specdb::MsMs 2953439 HMDB32747 #<Reference:0x000055ce33315590> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Garlic Type 1 specific Allium sativum 4682 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875