1.0 2010-04-08 22:14:47 UTC 2019-11-26 03:18:26 UTC FDB020072 2-Methyl-1-propenethiol Volatile flavour component of Allium subspecies 2-Methyl-1-propenethiol is found in onion-family vegetables. 1-Mercapto-2-methylpropene 2-Methylpropanethial Isobutene-1-thiol Thioisobutyraldehyde C5H10S 102.198 102.05032101 (1E)-2-methylbut-1-ene-1-thiol (1E)-2-methylbut-1-ene-1-thiol CC\C(C)=C\S InChI=1S/C5H10S/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4+ JNZXLHOIKNISCY-SNAWJCMRSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Thioenols Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative Thioenol logp 2.80 ALOGPS logs -1.53 ALOGPS solubility 2.99e+00 g/l ALOGPS logp 2.03 ChemAxon pka_strongest_acidic 8.95 ChemAxon iupac (1E)-2-methylbut-1-ene-1-thiol ChemAxon average_mass 102.198 ChemAxon mono_mass 102.05032101 ChemAxon smiles CC\C(C)=C\S ChemAxon formula C5H10S ChemAxon inchi InChI=1S/C5H10S/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4+ ChemAxon inchikey JNZXLHOIKNISCY-SNAWJCMRSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 32.73 ChemAxon polarizability 12.21 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23265 Specdb::CMs 134515 Specdb::CMs 142249 Specdb::MsIr 8924 Specdb::MsIr 8925 Specdb::MsIr 8926 Specdb::MsMs 317620 Specdb::MsMs 317621 Specdb::MsMs 317622 Specdb::MsMs 364123 Specdb::MsMs 364124 Specdb::MsMs 364125 Specdb::MsMs 2753965 Specdb::MsMs 2753966 Specdb::MsMs 2753967 Specdb::MsMs 2951289 Specdb::MsMs 2951290 Specdb::MsMs 2951291 Specdb::NmrOneD 40002 Specdb::NmrOneD 40003 Specdb::NmrOneD 40004 Specdb::NmrOneD 40005 Specdb::NmrOneD 40006 Specdb::NmrOneD 40007 Specdb::NmrOneD 40008 Specdb::NmrOneD 40009 Specdb::NmrOneD 40010 Specdb::NmrOneD 40011 Specdb::NmrOneD 40012 Specdb::NmrOneD 40013 Specdb::NmrOneD 40014 Specdb::NmrOneD 40015 Specdb::NmrOneD 40016 Specdb::NmrOneD 40017 Specdb::NmrOneD 40018 Specdb::NmrOneD 40019 Specdb::NmrOneD 40020 Specdb::NmrOneD 40021 HMDB40347 #<Reference:0x000055ce31d28c50> 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