1.0 2010-04-08 22:10:55 UTC 2019-11-26 03:09:06 UTC FDB013811 2-Mercapto-3-pentanone Aroma/flavour component of cooked meats. Maillard product from reaction of cysteine and ribose. 2-Mercapto-3-pentanone is found in animal foods. 3-Pentanone, 2-mercapto C5H10OS 118.197 118.045235632 2-sulfanylpentan-3-one 2-sulfanylpentan-3-one 17042-24-9 CCC(=O)C(C)S InChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3 TWOGJUHCCNLYPC-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 1.76 ALOGPS logs -1.42 ALOGPS solubility 4.50e+00 g/l ALOGPS logp 1.6 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic -7.6 ChemAxon iupac 2-sulfanylpentan-3-one ChemAxon average_mass 118.197 ChemAxon mono_mass 118.045235632 ChemAxon smiles CCC(=O)C(C)S ChemAxon formula C5H10OS ChemAxon inchi InChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3 ChemAxon inchikey TWOGJUHCCNLYPC-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 33.14 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::MsIr 6827 Specdb::MsIr 6828 Specdb::MsIr 6829 Specdb::CMs 13109 Specdb::CMs 163316 Specdb::MsMs 96513 Specdb::MsMs 96514 Specdb::MsMs 96515 Specdb::MsMs 161004 Specdb::MsMs 161005 Specdb::MsMs 161006 Specdb::MsMs 2317499 Specdb::MsMs 2317500 Specdb::MsMs 2317501 Specdb::MsMs 2617811 Specdb::MsMs 2617812 Specdb::MsMs 2617813 Specdb::NmrOneD 130318 Specdb::NmrOneD 130319 Specdb::NmrOneD 130320 Specdb::NmrOneD 130321 Specdb::NmrOneD 130322 Specdb::NmrOneD 130323 Specdb::NmrOneD 130324 Specdb::NmrOneD 130325 Specdb::NmrOneD 130326 Specdb::NmrOneD 130327 Specdb::NmrOneD 130328 Specdb::NmrOneD 130329 Specdb::NmrOneD 130330 Specdb::NmrOneD 130331 Specdb::NmrOneD 130332 Specdb::NmrOneD 130333 Specdb::NmrOneD 130334 Specdb::NmrOneD 130335 Specdb::NmrOneD 130336 Specdb::NmrOneD 130337 HMDB35171 #<Reference:0x000055ce316ef0a0> meat roasted roasted meat roastedmeat