1.0 2010-04-08 22:13:43 UTC 2025-11-19 02:11:34 UTC FDB018454 1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide Isolated from onion (Allium cepa). 1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide is found in garden onion and onion-family vegetables. 1-Propenyl 1-(1-propenylsulfinyl)propyl disulfide C9H16OS3 236.418 236.036327204 (1E)-1-({1-[(1Z)-prop-1-ene-1-sulfinyl]propyl}disulfanyl)prop-1-ene (1E)-1-({1-[(1Z)-prop-1-ene-1-sulfinyl]propyl}disulfanyl)prop-1-ene CCC(SS\C=C\C)S(=O)\C=C/C InChI=1S/C9H16OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4+,8-5- ODTGLDLGRKWIAI-NIQPXEJBSA-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 Hydrocarbon derivatives Organic disulfides Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Hydrocarbon derivative Organic disulfide Organic oxide Organic oxygen compound Sulfenyl compound Sulfinyl compound Sulfoxide logp 3.06 ALOGPS logs -2.40 ALOGPS solubility 9.49e-01 g/l ALOGPS logp 2.75 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (1E)-1-({1-[(1Z)-prop-1-ene-1-sulfinyl]propyl}disulfanyl)prop-1-ene ChemAxon average_mass 236.418 ChemAxon mono_mass 236.036327204 ChemAxon smiles CCC(SS\C=C\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/h4-5,7-9H,6H2,1-3H3/b7-4+,8-5- ChemAxon inchikey ODTGLDLGRKWIAI-NIQPXEJBSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 68.79 ChemAxon polarizability 24.65 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 47619 Specdb::MsMs 47620 Specdb::MsMs 47621 Specdb::MsMs 170430 Specdb::MsMs 170431 Specdb::MsMs 170432 Specdb::MsMs 2663665 Specdb::MsMs 2663666 Specdb::MsMs 2663667 Specdb::MsMs 3015255 Specdb::MsMs 3015256 Specdb::MsMs 3015257 Specdb::CMs 19270 Specdb::CMs 151725 HMDB38968 #<Reference:0x000055ce328fe458> 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