1.0 2010-04-08 22:11:44 UTC 2019-11-26 03:11:21 UTC FDB015251 2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide Constituent of Allium subspecies 2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is found in onion-family vegetables. 2-Propenyl 1-(1-propenylsulfinyl)propyl disulfide C9H16OS3 236.418 236.036327204 3-({1-[(1E)-prop-1-ene-1-sulfinyl]propyl}disulfanyl)prop-1-ene 3-({1-[(1E)-prop-1-ene-1-sulfinyl]propyl}disulfanyl)prop-1-ene 138898-92-7 CCC(SSCC=C)S(=O)\C=C\C InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,8-9H,1,6-7H2,2-3H3/b8-5+ ZNCVCGZAKFLEMH-VMPITWQZSA-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 3.03 ALOGPS logs -2.30 ALOGPS solubility 1.19e+00 g/l ALOGPS logp 2.72 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 3-({1-[(1E)-prop-1-ene-1-sulfinyl]propyl}disulfanyl)prop-1-ene ChemAxon average_mass 236.418 ChemAxon mono_mass 236.036327204 ChemAxon smiles CCC(SSCC=C)S(=O)\C=C\C ChemAxon formula C9H16OS3 ChemAxon inchi InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,8-9H,1,6-7H2,2-3H3/b8-5+ ChemAxon inchikey ZNCVCGZAKFLEMH-VMPITWQZSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 68.54 ChemAxon polarizability 25.21 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19185 Specdb::CMs 171210 Specdb::MsMs 43614 Specdb::MsMs 43615 Specdb::MsMs 43616 Specdb::MsMs 137010 Specdb::MsMs 137011 Specdb::MsMs 137012 Specdb::MsMs 2677458 Specdb::MsMs 2677459 Specdb::MsMs 2677460 Specdb::MsMs 3028748 Specdb::MsMs 3028749 Specdb::MsMs 3028750 HMDB36373 #<Reference:0x000055ce32d38550> 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