1.0 2010-04-08 22:09:26 UTC 2019-11-26 03:04:30 UTC FDB011051 1-(Methylsulfinyl)propyl 1-propenyl disulfide Constituent of Allium cepa (onion) and Allium tricoccum (wood leek). 1-(Methylsulfinyl)propyl 1-propenyl disulfide is found in garden onion. 1-(Methylsulfinyl)propyl 1-propenyl disulfide C7H14OS3 210.38 210.02067714 (1E)-1-[(1-methanesulfinylpropyl)disulfanyl]prop-1-ene (1E)-1-[(1-methanesulfinylpropyl)disulfanyl]prop-1-ene CCC(SS\C=C\C)S(C)=O InChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,6-7H,5H2,1-3H3/b6-4+ MKOPLMYOMZFPLE-GQCTYLIASA-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 2.34 ALOGPS logs -1.92 ALOGPS solubility 2.55e+00 g/l ALOGPS logp 1.63 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac (1E)-1-[(1-methanesulfinylpropyl)disulfanyl]prop-1-ene ChemAxon average_mass 210.38 ChemAxon mono_mass 210.02067714 ChemAxon smiles CCC(SS\C=C\C)S(C)=O ChemAxon formula C7H14OS3 ChemAxon inchi InChI=1S/C7H14OS3/c1-4-6-9-10-7(5-2)11(3)8/h4,6-7H,5H2,1-3H3/b6-4+ ChemAxon inchikey MKOPLMYOMZFPLE-GQCTYLIASA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 59.41 ChemAxon polarizability 21.97 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15344 Specdb::CMs 131135 Specdb::CMs 138869 Specdb::NmrOneD 117538 Specdb::NmrOneD 117539 Specdb::NmrOneD 117540 Specdb::NmrOneD 117541 Specdb::NmrOneD 117542 Specdb::NmrOneD 117543 Specdb::NmrOneD 117544 Specdb::NmrOneD 117545 Specdb::NmrOneD 117546 Specdb::NmrOneD 117547 Specdb::NmrOneD 117548 Specdb::NmrOneD 117549 Specdb::NmrOneD 117550 Specdb::NmrOneD 117551 Specdb::NmrOneD 117552 Specdb::NmrOneD 117553 Specdb::NmrOneD 117554 Specdb::NmrOneD 117555 Specdb::NmrOneD 117556 Specdb::NmrOneD 117557 Specdb::MsMs 95358 Specdb::MsMs 95359 Specdb::MsMs 95360 Specdb::MsMs 159615 Specdb::MsMs 159616 Specdb::MsMs 159617 Specdb::MsMs 2784628 Specdb::MsMs 2784629 Specdb::MsMs 2784630 Specdb::MsMs 2921602 Specdb::MsMs 2921603 Specdb::MsMs 2921604 HMDB33058 #<Reference:0x000055ce2d054848> Garden onion Type 1 specific Allium cepa 4679