1.0 2010-04-08 22:09:59 UTC 2019-11-26 03:06:10 UTC FDB012097 Isopentyl mercaptan Found in beer. Flavouring agent 1-Butanethiol, 3-methyl- 1-Mercapto-3-methylbutane 2-Methyl-4-butanethiol 3-Methyl-1-butanethiol 3-Methyl-1-butylthiol 3-Methylbutane-1-thiol 3-Methylbutanethiol FEMA 3858 Isoamyl mercaptan Isoamyl sulfhydrate Isoamyl thioalcohol Isoamylthiol Isopentanethiol Isopentyl mercaptan Thioisoamyl alcohol C5H12S 104.214 104.065971074 3-methylbutane-1-thiol isoamylthiol 541-31-1 CC(C)CCS InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 GIJGXNFNUUFEGH-UHFFFAOYSA-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 Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative logp 2.85 ALOGPS logs -2.23 ALOGPS solubility 6.17e-01 g/l ALOGPS logp 2.34 ChemAxon pka_strongest_acidic 10.2 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac 3-methylbutane-1-thiol ChemAxon average_mass 104.214 ChemAxon mono_mass 104.065971074 ChemAxon smiles CC(C)CCS ChemAxon formula C5H12S ChemAxon inchi InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 ChemAxon inchikey GIJGXNFNUUFEGH-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 32.71 ChemAxon polarizability 13.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26380 Specdb::CMs 29437 Specdb::CMs 101438 Specdb::CMs 164786 Specdb::MsIr 6336 Specdb::MsIr 6337 Specdb::MsIr 6338 Specdb::MsMs 9503 Specdb::MsMs 9504 Specdb::MsMs 9505 Specdb::MsMs 16175 Specdb::MsMs 16176 Specdb::MsMs 16177 Specdb::MsMs 2468542 Specdb::MsMs 2468543 Specdb::MsMs 2468544 Specdb::MsMs 2497892 Specdb::MsMs 2497893 Specdb::MsMs 2497894 HMDB33902 #<Reference:0x000055ce31c58f00> Alcoholic beverages Unknown generic glue onion