1.0 2010-04-08 22:09:27 UTC 2025-11-18 23:24:16 UTC FDB011065 Propyl 1-(propylsulfinyl)propyl disulfide Constituent of Allium tricoccum (wood leek). Propyl 1-(propylsulfinyl)propyl disulfide is found in onion-family vegetables. Propyl 1-(propylsulfinyl)propyl disulfide C9H20OS3 240.45 240.067627332 1-(propane-1-sulfinyl)-1-(propyldisulfanyl)propane 1-(propane-1-sulfinyl)-1-(propyldisulfanyl)propane CCCSSC(CC)S(=O)CCC InChI=1S/C9H20OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h9H,4-8H2,1-3H3 NIBWKLISDHVING-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 Dialkyldisulfides Hydrocarbon derivatives Organic oxides Sulfenyl compounds Sulfinyl compounds Aliphatic acyclic compound Dialkyldisulfide Hydrocarbon derivative Organic disulfide Organic oxide Organic oxygen compound Sulfenyl compound Sulfinyl compound Sulfoxide logp 3.28 ALOGPS logs -2.60 ALOGPS solubility 6.03e-01 g/l ALOGPS logp 2.78 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1-(propane-1-sulfinyl)-1-(propyldisulfanyl)propane ChemAxon average_mass 240.45 ChemAxon mono_mass 240.067627332 ChemAxon smiles CCCSSC(CC)S(=O)CCC ChemAxon formula C9H20OS3 ChemAxon inchi InChI=1S/C9H20OS3/c1-4-7-11-12-9(6-3)13(10)8-5-2/h9H,4-8H2,1-3H3 ChemAxon inchikey NIBWKLISDHVING-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 68.52 ChemAxon polarizability 26.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17015 Specdb::CMs 164006 Specdb::MsMs 53508 Specdb::MsMs 53509 Specdb::MsMs 53510 Specdb::MsMs 139098 Specdb::MsMs 139099 Specdb::MsMs 139100 Specdb::MsMs 2711222 Specdb::MsMs 2711223 Specdb::MsMs 2711224 Specdb::MsMs 2997584 Specdb::MsMs 2997585 Specdb::MsMs 2997586 HMDB33071 #<Reference:0x000055ce31a6a3b0> 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