1.0 2010-04-08 22:05:44 UTC 2019-11-26 02:58:45 UTC FDB003273 2-Methyl-1-propanethiol Food additive listed in the EAFUS Food Additive Database (Jan. 2001). Found in guava, milk, cooked beef, cooked pork and beer. Flavouring ingredient 1-Isobutanethiol 1-Mercapto-2-methylpropane 1-Mercaptoisobutane 1-Propanethiol, 2-methyl- 2-Methyl propanethiol 2-Methyl-1-Propylthiol 2-Methylpropane-1-thiol FEMA 3874 iso-C4H9SH Isobutanethiol Isobutyl mercaptan Isobutyl thiol Thioisobutyl alcohol C4H10S 90.187 90.05032101 2-methylpropane-1-thiol 2-methyl-1-propanethiol 513-44-0 CC(C)CS InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3 BDFAOUQQXJIZDG-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 Liquid logp 2.27 ALOGPS logs -1.74 ALOGPS solubility 1.66e+00 g/l ALOGPS melting_point Fp -79° logp 1.98 ChemAxon pka_strongest_acidic 10.18 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac 2-methylpropane-1-thiol ChemAxon average_mass 90.187 ChemAxon mono_mass 90.05032101 ChemAxon smiles CC(C)CS ChemAxon formula C4H10S ChemAxon inchi InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3 ChemAxon inchikey BDFAOUQQXJIZDG-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 28.03 ChemAxon polarizability 11.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4250 Specdb::MsIr 4251 Specdb::MsIr 4252 Specdb::CMs 24168 Specdb::CMs 168135 Specdb::MsMs 73551 Specdb::MsMs 73552 Specdb::MsMs 73553 Specdb::MsMs 132756 Specdb::MsMs 132757 Specdb::MsMs 132758 Specdb::MsMs 2457437 Specdb::MsMs 2457438 Specdb::MsMs 2457439 Specdb::MsMs 2482069 Specdb::MsMs 2482070 Specdb::MsMs 2482071 Specdb::NmrOneD 163129 Specdb::NmrOneD 163130 Specdb::NmrOneD 163131 Specdb::NmrOneD 163132 Specdb::NmrOneD 163133 Specdb::NmrOneD 163134 Specdb::NmrOneD 163135 Specdb::NmrOneD 163136 Specdb::NmrOneD 163137 Specdb::NmrOneD 163138 Specdb::NmrOneD 163139 Specdb::NmrOneD 163140 Specdb::NmrOneD 163141 Specdb::NmrOneD 163142 Specdb::NmrOneD 163143 Specdb::NmrOneD 163144 Specdb::NmrOneD 163145 Specdb::NmrOneD 163146 Specdb::NmrOneD 163147 Specdb::NmrOneD 163148 HMDB31245 #<Reference:0x000055ce316648d8> Alcoholic beverages Unknown generic Fruits Unknown generic Guava Type 1 specific Psidium guajava 120290 Milk and milk products Unknown generic cooked mustard vegetable