1.0 2010-04-08 22:11:44 UTC 2019-11-26 03:11:21 UTC FDB015253 2-Propenyl 1-(propylsulfinyl)propyl disulfide Constituent of Allium species 2-Propenyl 1-(propylsulfinyl)propyl disulfide is found in onion-family vegetables. 2-Propenyl 1-(propylsulfinyl)propyl disulfide C9H18OS3 238.434 238.051977268 3-{[1-(propane-1-sulfinyl)propyl]disulfanyl}prop-1-ene 3-{[1-(propane-1-sulfinyl)propyl]disulfanyl}prop-1-ene CCCS(=O)C(CC)SSCC=C InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4,9H,1,5-8H2,2-3H3 KMCDWQRCCFTFPU-UHFFFAOYSA-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 Dialkyldisulfides Hydrocarbon derivatives Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Allyl sulfur compound Dialkyldisulfide Hydrocarbon derivative Organic disulfide Organic oxide Organic oxygen compound Sulfenyl compound Sulfinyl compound Sulfoxide logp 2.96 ALOGPS logs -2.23 ALOGPS solubility 1.39e+00 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 3-{[1-(propane-1-sulfinyl)propyl]disulfanyl}prop-1-ene ChemAxon average_mass 238.434 ChemAxon mono_mass 238.051977268 ChemAxon smiles CCCS(=O)C(CC)SSCC=C ChemAxon formula C9H18OS3 ChemAxon inchi InChI=1S/C9H18OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4,9H,1,5-8H2,2-3H3 ChemAxon inchikey KMCDWQRCCFTFPU-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 68.41 ChemAxon polarizability 25.75 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84108 Specdb::MsMs 84109 Specdb::MsMs 84110 Specdb::MsMs 145863 Specdb::MsMs 145864 Specdb::MsMs 145865 Specdb::MsMs 2418370 Specdb::MsMs 2418371 Specdb::MsMs 2418372 Specdb::MsMs 2543567 Specdb::MsMs 2543568 Specdb::MsMs 2543569 Specdb::CMs 15489 Specdb::CMs 158452 HMDB36375 #<Reference:0x000055ce32f3f5b0> 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