1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:01 UTC FDB010716 S-2-Propenyl 1-propenesulfinothioate Constituent of Allium subspecies S-2-Propenyl 1-propenesulfinothioate is found in soft-necked garlic and onion-family vegetables. S-2-Propenyl 1-propenesulfinothioate C6H10OS2 162.273 162.017306322 3-{[(1E)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene 3-{[(1E)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene 134595-70-3 C\C=C\S(=O)SCC=C InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ MMTFXWIIILIGFN-GQCTYLIASA-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 1.61 ALOGPS logs -1.16 ALOGPS solubility 1.13e+01 g/l ALOGPS logp 2.37 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 3-{[(1E)-prop-1-ene-1-sulfinyl]sulfanyl}prop-1-ene ChemAxon average_mass 162.273 ChemAxon mono_mass 162.017306322 ChemAxon smiles C\C=C\S(=O)SCC=C ChemAxon formula C6H10OS2 ChemAxon inchi InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ ChemAxon inchikey MMTFXWIIILIGFN-GQCTYLIASA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 45.06 ChemAxon polarizability 16.72 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5717 Specdb::MsIr 5718 Specdb::CMs 16737 Specdb::CMs 130909 Specdb::CMs 138643 Specdb::NmrOneD 114918 Specdb::NmrOneD 114919 Specdb::NmrOneD 114920 Specdb::NmrOneD 114921 Specdb::NmrOneD 114922 Specdb::NmrOneD 114923 Specdb::NmrOneD 114924 Specdb::NmrOneD 114925 Specdb::NmrOneD 114926 Specdb::NmrOneD 114927 Specdb::NmrOneD 114928 Specdb::NmrOneD 114929 Specdb::NmrOneD 114930 Specdb::NmrOneD 114931 Specdb::NmrOneD 114932 Specdb::NmrOneD 114933 Specdb::NmrOneD 114934 Specdb::NmrOneD 114935 Specdb::NmrOneD 114936 Specdb::NmrOneD 114937 Specdb::MsMs 93834 Specdb::MsMs 93835 Specdb::MsMs 93836 Specdb::MsMs 157686 Specdb::MsMs 157687 Specdb::MsMs 157688 Specdb::MsMs 2344616 Specdb::MsMs 2344617 Specdb::MsMs 2344618 Specdb::MsMs 2591137 Specdb::MsMs 2591138 Specdb::MsMs 2591139 HMDB32750 #<Reference:0x000055ce31a71ca0> 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 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Welsh onion Type 1 specific Allium fistulosum 35875 Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.