1.0 2010-04-08 22:10:23 UTC 2019-11-26 03:07:41 UTC FDB012824 (-)-1-Methylpropyl 1-propenyl disulfide Constituent of Ferula assa-foetida (asafoetida). (-)-1-Methylpropyl 1-propenyl disulfide is found in herbs and spices and green vegetables. C7H14S2 162.316 162.053691828 2-[(1E)-prop-1-en-1-yldisulfanyl]butane 2-[(1E)-prop-1-en-1-yldisulfanyl]butane CCC(C)SS\C=C\C InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ IOVUOUZQSDBAQN-GQCTYLIASA-N belongs to the class of organic compounds known as organic disulfides. These are organosulfur compounds with the general formula RSSR' (R,R' = alkyl, aryl). Organic disulfides Organic compounds Organosulfur compounds Organic disulfides Aliphatic acyclic compounds Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Hydrocarbon derivative Organic disulfide Sulfenyl compound logp 4.64 ALOGPS logs -3.01 ALOGPS solubility 1.57e-01 g/l ALOGPS logp 3.33 ChemAxon iupac 2-[(1E)-prop-1-en-1-yldisulfanyl]butane ChemAxon average_mass 162.316 ChemAxon mono_mass 162.053691828 ChemAxon smiles CCC(C)SS\C=C\C ChemAxon formula C7H14S2 ChemAxon inchi InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ ChemAxon inchikey IOVUOUZQSDBAQN-GQCTYLIASA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 50.16 ChemAxon polarizability 18.62 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15305 Specdb::CMs 159690 Specdb::MsIr 6597 Specdb::MsIr 6598 Specdb::MsMs 48726 Specdb::MsMs 48727 Specdb::MsMs 48728 Specdb::MsMs 117360 Specdb::MsMs 117361 Specdb::MsMs 117362 Specdb::MsMs 2407055 Specdb::MsMs 2407056 Specdb::MsMs 2407057 Specdb::MsMs 2532519 Specdb::MsMs 2532520 Specdb::MsMs 2532521 HMDB34426 #<Reference:0x00007f08e81e3de8> Green vegetables Unknown generic Herbs and Spices Unknown generic