1.0 2010-04-08 22:09:26 UTC 2019-11-26 03:04:30 UTC FDB011044 Butyl propyl disulfide Constituent of Allium cepa (onion) flavour and Nigella sativa (black cumin). Butyl propyl disulfide is found in garden onion, onion-family vegetables, and herbs and spices. 1-(Propyldisulfanyl)butane 4,5-Dithianonane N-propyl n-butyl disulphide Propyl butyl disulfide C7H16S2 164.332 164.069341892 1-(propyldisulfanyl)butane 1-(propyldisulfanyl)butane 72437-64-0 CCCCSSCCC InChI=1S/C7H16S2/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3 VITWKRWSBFUVDT-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 4.12 ALOGPS logs -3.39 ALOGPS solubility 6.74e-02 g/l ALOGPS logp 3.5 ChemAxon iupac 1-(propyldisulfanyl)butane ChemAxon average_mass 164.332 ChemAxon mono_mass 164.069341892 ChemAxon smiles CCCCSSCCC ChemAxon formula C7H16S2 ChemAxon inchi InChI=1S/C7H16S2/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3 ChemAxon inchikey VITWKRWSBFUVDT-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 50.24 ChemAxon polarizability 20.18 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15074 Specdb::CMs 136806 Specdb::CMs 144540 Specdb::MsIr 5926 Specdb::MsIr 5927 Specdb::MsMs 98817 Specdb::MsMs 98818 Specdb::MsMs 98819 Specdb::MsMs 163827 Specdb::MsMs 163828 Specdb::MsMs 163829 Specdb::MsMs 2403440 Specdb::MsMs 2403441 Specdb::MsMs 2403442 Specdb::MsMs 2535608 Specdb::MsMs 2535609 Specdb::MsMs 2535610 HMDB33051 #<Reference:0x000055ce31f09d30> Cabbage Type 1 specific Brassica oleracea var. capitata 3716 Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Herbs and Spices Unknown generic Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875 sulfurous