1.0 2010-04-08 22:09:27 UTC 2025-11-18 23:24:18 UTC FDB011070 Methyl 1-(methylsulfinyl)propyl disulfide Constituentof Allium cepa (onion) juice and Allium tricoccum (wood leek). Methyl 1-(methylsulfinyl)propyl disulfide is found in garden onion and onion-family vegetables. Methyl 1-(methylsulfinyl)propyl disulfide C5H12OS3 184.343 184.005027076 1-methanesulfinyl-1-(methyldisulfanyl)propane 1-methanesulfinyl-1-(methyldisulfanyl)propane 134018-95-4 CCC(SSC)S(C)=O InChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3 BBBAHSPHKVIDRN-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 1.28 ALOGPS logs -1.54 ALOGPS solubility 5.32e+00 g/l ALOGPS logp 0.9 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1-methanesulfinyl-1-(methyldisulfanyl)propane ChemAxon average_mass 184.343 ChemAxon mono_mass 184.005027076 ChemAxon smiles CCC(SSC)S(C)=O ChemAxon formula C5H12OS3 ChemAxon inchi InChI=1S/C5H12OS3/c1-4-5(8-7-2)9(3)6/h5H,4H2,1-3H3 ChemAxon inchikey BBBAHSPHKVIDRN-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 50.03 ChemAxon polarizability 19.01 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17122 Specdb::CMs 137475 Specdb::CMs 145209 Specdb::NmrOneD 117738 Specdb::NmrOneD 117739 Specdb::NmrOneD 117740 Specdb::NmrOneD 117741 Specdb::NmrOneD 117742 Specdb::NmrOneD 117743 Specdb::NmrOneD 117744 Specdb::NmrOneD 117745 Specdb::NmrOneD 117746 Specdb::NmrOneD 117747 Specdb::NmrOneD 117748 Specdb::NmrOneD 117749 Specdb::NmrOneD 117750 Specdb::NmrOneD 117751 Specdb::NmrOneD 117752 Specdb::NmrOneD 117753 Specdb::NmrOneD 117754 Specdb::NmrOneD 117755 Specdb::NmrOneD 117756 Specdb::NmrOneD 117757 Specdb::MsMs 46920 Specdb::MsMs 46921 Specdb::MsMs 46922 Specdb::MsMs 171540 Specdb::MsMs 171541 Specdb::MsMs 171542 Specdb::MsMs 2281324 Specdb::MsMs 2281325 Specdb::MsMs 2281326 Specdb::MsMs 3083674 Specdb::MsMs 3083675 Specdb::MsMs 3083676 HMDB33075 #<Reference:0x000055ce321d9380> 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