1.0 2010-04-08 22:09:26 UTC 2019-11-26 03:04:30 UTC FDB011043 Butyl isopropyl disulfide Constituent of Allium cepa (onion). Butyl isopropyl disulfide is found in garden onion and onion-family vegetables. 1-(Isopropyldisulfanyl)butane 2-Methyl-3,4-dithiaoctane Butyl 1-methylethyl disulfide, 9CI Isopropyl n-butyl disulphide C7H16S2 164.332 164.069341892 1-(propan-2-yldisulfanyl)butane 1-(isopropyldisulfanyl)butane 72437-53-7 CCCCSSC(C)C InChI=1S/C7H16S2/c1-4-5-6-8-9-7(2)3/h7H,4-6H2,1-3H3 HODYAASMHKKQBS-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups. Dialkyldisulfides Organic compounds Organosulfur compounds Organic disulfides Dialkyldisulfides Aliphatic acyclic compounds Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Dialkyldisulfide Hydrocarbon derivative Sulfenyl compound logp 4.07 ALOGPS logs -3.46 ALOGPS solubility 5.73e-02 g/l ALOGPS logp 3.37 ChemAxon iupac 1-(propan-2-yldisulfanyl)butane ChemAxon average_mass 164.332 ChemAxon mono_mass 164.069341892 ChemAxon smiles CCCCSSC(C)C ChemAxon formula C7H16S2 ChemAxon inchi InChI=1S/C7H16S2/c1-4-5-6-8-9-7(2)3/h7H,4-6H2,1-3H3 ChemAxon inchikey HODYAASMHKKQBS-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 50.1 ChemAxon polarizability 19.9 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77919 Specdb::MsMs 77920 Specdb::MsMs 77921 Specdb::MsMs 138150 Specdb::MsMs 138151 Specdb::MsMs 138152 Specdb::MsMs 2681784 Specdb::MsMs 2681785 Specdb::MsMs 2681786 Specdb::MsMs 3026832 Specdb::MsMs 3026833 Specdb::MsMs 3026834 Specdb::CMs 12798 Specdb::CMs 137320 Specdb::CMs 145054 Specdb::MsIr 5924 Specdb::MsIr 5925 HMDB33050 #<Reference:0x000055ce30b77290> 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