1.0 2010-04-08 22:13:40 UTC 2019-11-26 03:16:03 UTC FDB018354 1-(Methylthio)-1-butene 1-(Methylthio)-1-butene is a flavouring ingredient. It is found in roasted peanuts. (1Z)-1-(Methylsulfanyl)-1-butene 1-(methylthio)-(e)-1-Butene 1-(methylthio)-(Z)-1-Butene 1-Buten-1-yl methyl sulfide, 8CI 1-butene, 1-(methylthio)-, (e)- 1-Butene, 1-(methylthio)-, (Z)- 2-Thia-3-hexene FEMA 3820 C5H10S 102.198 102.05032101 (1E)-1-(methylsulfanyl)but-1-ene (1E)-1-(methylsulfanyl)but-1-ene 32951-19-2 CC\C=C\SC InChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+ QOKMHYUWJKXWOV-SNAWJCMRSA-N belongs to the class of organic compounds known as thioenol ethers. Thioenol ethers are compounds containing the enol ether functional group, with the formula R3SCR2=CR1. Thioenol ethers Organic compounds Organosulfur compounds Thioethers Thioenol ethers Aliphatic acyclic compounds Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Hydrocarbon derivative Sulfenyl compound Thioenolether logp 2.59 ALOGPS logs -2.04 ALOGPS solubility 9.31e-01 g/l ALOGPS logp 2.17 ChemAxon iupac (1E)-1-(methylsulfanyl)but-1-ene ChemAxon average_mass 102.198 ChemAxon mono_mass 102.05032101 ChemAxon smiles CC\C=C\SC ChemAxon formula C5H10S ChemAxon inchi InChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+ ChemAxon inchikey QOKMHYUWJKXWOV-SNAWJCMRSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 33.1 ChemAxon polarizability 12.45 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18548 Specdb::CMs 131072 Specdb::CMs 138806 Specdb::MsIr 8041 Specdb::MsIr 8042 Specdb::MsMs 307117 Specdb::MsMs 307118 Specdb::MsMs 307119 Specdb::MsMs 350980 Specdb::MsMs 350981 Specdb::MsMs 350982 Specdb::MsMs 2686335 Specdb::MsMs 2686336 Specdb::MsMs 2686337 Specdb::MsMs 2992529 Specdb::MsMs 2992530 Specdb::MsMs 2992531 HMDB38892 #<Reference:0x000055ce3185e008> Nuts Unknown generic sulfurous