1.0 2010-04-08 22:13:39 UTC 2017-04-03 04:52:37 UTC FDB018352 Methyl 3-methyl-1-butenyl disulfide Flavouring ingredient 2-Methyl-5,6-dithia-3-heptene FEMA 3865 C6H12S2 148.289 148.038041764 (1E)-3-methyl-1-(methyldisulfanyl)but-1-ene (1E)-3-methyl-1-(methyldisulfanyl)but-1-ene 56-40-6 CSS\C=C\C(C)C InChI=1S/C6H12S2/c1-6(2)4-5-8-7-3/h4-6H,1-3H3/b5-4+ NNYHMALQRVQTNK-SNAWJCMRSA-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 3.22 ALOGPS logs -2.63 ALOGPS solubility 3.44e-01 g/l ALOGPS logp 2.82 ChemAxon iupac (1E)-3-methyl-1-(methyldisulfanyl)but-1-ene ChemAxon average_mass 148.289 ChemAxon mono_mass 148.038041764 ChemAxon smiles CSS\C=C\C(C)C ChemAxon formula C6H12S2 ChemAxon inchi InChI=1S/C6H12S2/c1-6(2)4-5-8-7-3/h4-6H,1-3H3/b5-4+ ChemAxon inchikey NNYHMALQRVQTNK-SNAWJCMRSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 45.67 ChemAxon polarizability 16.79 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8037 Specdb::MsIr 8038 Specdb::CMs 19181 Specdb::CMs 165189 Specdb::MsMs 308626 Specdb::MsMs 308627 Specdb::MsMs 308628 Specdb::MsMs 352855 Specdb::MsMs 352856 Specdb::MsMs 352857 Specdb::MsMs 2751388 Specdb::MsMs 2751389 Specdb::MsMs 2751390 Specdb::MsMs 2930223 Specdb::MsMs 2930224 Specdb::MsMs 2930225 HMDB38890 #<Reference:0x000055ce326f9068>