1.0 2010-04-08 22:09:12 UTC 2020-02-24 19:11:00 UTC FDB010603 (Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide Isolated from garlic oil (Allium sativum). (Z)-[3-(Methylsulfinyl)-1-propenyl] 2-propenyl disulfide is found in garlic and onion-family vegetables. C7H12OS3 208.365 208.005027076 3-{[(1E)-3-methanesulfinylprop-1-en-1-yl]disulfanyl}prop-1-ene 3-{[(1E)-3-methanesulfinylprop-1-en-1-yl]disulfanyl}prop-1-ene 104324-40-5 CS(=O)C\C=C\SSCC=C InChI=1S/C7H12OS3/c1-3-5-9-10-6-4-7-11(2)8/h3-4,6H,1,5,7H2,2H3/b6-4+ FPQGSXSLZNUUFB-GQCTYLIASA-N belongs to the class of organic compounds known as sulfoxides. Sulfoxides are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H). Sulfoxides Organic compounds Organosulfur compounds Sulfoxides Aliphatic acyclic compounds Allyl sulfur compounds Hydrocarbon derivatives Organic disulfides Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Allyl sulfur compound Hydrocarbon derivative Organic disulfide Organic oxide Organic oxygen compound Sulfenyl compound Sulfinyl compound Sulfoxide logp 1.94 ALOGPS logs -1.67 ALOGPS solubility 4.47e+00 g/l ALOGPS logp 0.77 ChemAxon pka_strongest_acidic 16.01 ChemAxon pka_strongest_basic -6.4 ChemAxon iupac 3-{[(1E)-3-methanesulfinylprop-1-en-1-yl]disulfanyl}prop-1-ene ChemAxon average_mass 208.365 ChemAxon mono_mass 208.005027076 ChemAxon smiles CS(=O)C\C=C\SSCC=C ChemAxon formula C7H12OS3 ChemAxon inchi InChI=1S/C7H12OS3/c1-3-5-9-10-6-4-7-11(2)8/h3-4,6H,1,5,7H2,2H3/b6-4+ ChemAxon inchikey FPQGSXSLZNUUFB-GQCTYLIASA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 59.87 ChemAxon polarizability 21.79 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10254 Specdb::CMs 151009 Specdb::MsIr 5676 Specdb::MsIr 5677 Specdb::MsMs 71100 Specdb::MsMs 71101 Specdb::MsMs 71102 Specdb::MsMs 129717 Specdb::MsMs 129718 Specdb::MsMs 129719 Specdb::MsMs 2758044 Specdb::MsMs 2758045 Specdb::MsMs 2758046 Specdb::MsMs 2950230 Specdb::MsMs 2950231 Specdb::MsMs 2950232 Specdb::NmrOneD 114518 Specdb::NmrOneD 114519 Specdb::NmrOneD 114520 Specdb::NmrOneD 114521 Specdb::NmrOneD 114522 Specdb::NmrOneD 114523 Specdb::NmrOneD 114524 Specdb::NmrOneD 114525 Specdb::NmrOneD 114526 Specdb::NmrOneD 114527 Specdb::NmrOneD 114528 Specdb::NmrOneD 114529 Specdb::NmrOneD 114530 Specdb::NmrOneD 114531 Specdb::NmrOneD 114532 Specdb::NmrOneD 114533 Specdb::NmrOneD 114534 Specdb::NmrOneD 114535 Specdb::NmrOneD 114536 Specdb::NmrOneD 114537 HMDB32653 #<Reference:0x000055ce30507e78> 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