1.0 2010-04-08 22:09:26 UTC 2025-11-18 23:24:11 UTC FDB011054 1-(Methylsulfinyl)propyl propyl disulfide Constituent of Allium cepa (onion) juice and Allium tricoccum (wood leek). 1-(Methylsulfinyl)propyl propyl disulfide is found in garden onion and onion-family vegetables. 1-(Methylsulfinyl)propyl propyl disulfide C7H16OS3 212.396 212.036327204 1-methanesulfinyl-1-(propyldisulfanyl)propane 1-methanesulfinyl-1-(propyldisulfanyl)propane 132216-21-8 CCCSSC(CC)S(C)=O InChI=1S/C7H16OS3/c1-4-6-9-10-7(5-2)11(3)8/h7H,4-6H2,1-3H3 SEEVCAXKLHCWMN-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 2.31 ALOGPS logs -1.86 ALOGPS solubility 2.94e+00 g/l ALOGPS logp 1.75 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1-methanesulfinyl-1-(propyldisulfanyl)propane ChemAxon average_mass 212.396 ChemAxon mono_mass 212.036327204 ChemAxon smiles CCCSSC(CC)S(C)=O ChemAxon formula C7H16OS3 ChemAxon inchi InChI=1S/C7H16OS3/c1-4-6-9-10-7(5-2)11(3)8/h7H,4-6H2,1-3H3 ChemAxon inchikey SEEVCAXKLHCWMN-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 59.28 ChemAxon polarizability 23.14 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11291 Specdb::CMs 130473 Specdb::CMs 138207 Specdb::NmrOneD 117578 Specdb::NmrOneD 117579 Specdb::NmrOneD 117580 Specdb::NmrOneD 117581 Specdb::NmrOneD 117582 Specdb::NmrOneD 117583 Specdb::NmrOneD 117584 Specdb::NmrOneD 117585 Specdb::NmrOneD 117586 Specdb::NmrOneD 117587 Specdb::NmrOneD 117588 Specdb::NmrOneD 117589 Specdb::NmrOneD 117590 Specdb::NmrOneD 117591 Specdb::NmrOneD 117592 Specdb::NmrOneD 117593 Specdb::NmrOneD 117594 Specdb::NmrOneD 117595 Specdb::NmrOneD 117596 Specdb::NmrOneD 117597 Specdb::MsMs 71898 Specdb::MsMs 71899 Specdb::MsMs 71900 Specdb::MsMs 130671 Specdb::MsMs 130672 Specdb::MsMs 130673 Specdb::MsMs 2408989 Specdb::MsMs 2408990 Specdb::MsMs 2408991 Specdb::MsMs 2552963 Specdb::MsMs 2552964 Specdb::MsMs 2552965 HMDB33061 #<Reference:0x000055ce32134c40> 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