1.0 2010-04-08 22:10:44 UTC 2019-11-26 03:08:29 UTC FDB013472 3-Mercapto-2-pentanone Maillard product from reaction of cysteine and ribose. Aroma/flavour component of cookes meats. Flavouring agent. 3-Mercapto-2-pentanone is found in animal foods. 2-Pentanone, 3-mercapto- 3-mercapto-2-penanone 3-mercaptopentan-2-one FEMA 3300 C5H10OS 118.197 118.045235632 3-sulfanylpentan-2-one 3-sulfanylpentan-2-one 67633-97-0 CCC(S)C(C)=O InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3 SZECUQRKLXRGSJ-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Alkylthiols Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative Ketone Organic oxide Organosulfur compound logp 2.06 ALOGPS logs -1.49 ALOGPS solubility 3.80e+00 g/l ALOGPS logp 1.42 ChemAxon pka_strongest_acidic 9.47 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 3-sulfanylpentan-2-one ChemAxon average_mass 118.197 ChemAxon mono_mass 118.045235632 ChemAxon smiles CCC(S)C(C)=O ChemAxon formula C5H10OS ChemAxon inchi InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3 ChemAxon inchikey SZECUQRKLXRGSJ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 33.04 ChemAxon polarizability 13 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13865 Specdb::CMs 154183 Specdb::MsIr 6734 Specdb::MsIr 6735 Specdb::MsIr 6736 Specdb::MsMs 108249 Specdb::MsMs 108250 Specdb::MsMs 108251 Specdb::MsMs 175431 Specdb::MsMs 175432 Specdb::MsMs 175433 Specdb::MsMs 2781568 Specdb::MsMs 2781569 Specdb::MsMs 2781570 Specdb::MsMs 2926858 Specdb::MsMs 2926859 Specdb::MsMs 2926860 Specdb::NmrOneD 128308 Specdb::NmrOneD 128309 Specdb::NmrOneD 128310 Specdb::NmrOneD 128311 Specdb::NmrOneD 128312 Specdb::NmrOneD 128313 Specdb::NmrOneD 128314 Specdb::NmrOneD 128315 Specdb::NmrOneD 128316 Specdb::NmrOneD 128317 Specdb::NmrOneD 128318 Specdb::NmrOneD 128319 Specdb::NmrOneD 128320 Specdb::NmrOneD 128321 Specdb::NmrOneD 128322 Specdb::NmrOneD 128323 Specdb::NmrOneD 128324 Specdb::NmrOneD 128325 Specdb::NmrOneD 128326 Specdb::NmrOneD 128327 HMDB34896 #<Reference:0x000055ce32a7f4f8> horseradish meat metallic onion potato roasted sulfur sulfurous