1.02010-04-08 22:10:55 UTC2019-11-26 03:09:06 UTCFDB0138112-Mercapto-3-pentanoneAroma/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-mercaptoC5H10OS118.197118.0452356322-sulfanylpentan-3-one2-sulfanylpentan-3-one17042-24-9CCC(=O)C(C)SInChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3TWOGJUHCCNLYPC-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.KetonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic acyclic compoundsAlkylthiolsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundAlkylthiolHydrocarbon derivativeKetoneOrganic oxideOrganosulfur compoundlogp1.76logs-1.42solubility4.50e+00 g/llogp1.6pka_strongest_acidic9.5pka_strongest_basic-7.6iupac2-sulfanylpentan-3-oneaverage_mass118.197mono_mass118.045235632smilesCCC(=O)C(C)SformulaC5H10OSinchiInChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3inchikeyTWOGJUHCCNLYPC-UHFFFAOYSA-Npolar_surface_area17.07refractivity33.14polarizability13rotatable_bond_count2acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsIr6827Specdb::MsIr6828Specdb::MsIr6829Specdb::CMs13109Specdb::CMs163316Specdb::NmrOneD130318Specdb::NmrOneD130319Specdb::NmrOneD130320Specdb::NmrOneD130321Specdb::NmrOneD130322Specdb::NmrOneD130323Specdb::NmrOneD130324Specdb::NmrOneD130325Specdb::NmrOneD130326Specdb::NmrOneD130327Specdb::NmrOneD130328Specdb::NmrOneD130329Specdb::NmrOneD130330Specdb::NmrOneD130331Specdb::NmrOneD130332Specdb::NmrOneD130333Specdb::NmrOneD130334Specdb::NmrOneD130335Specdb::NmrOneD130336Specdb::NmrOneD130337Specdb::MsMs96513Specdb::MsMs96514Specdb::MsMs96515Specdb::MsMs161004Specdb::MsMs161005Specdb::MsMs161006Specdb::MsMs2317499Specdb::MsMs2317500Specdb::MsMs2317501Specdb::MsMs2617811Specdb::MsMs2617812Specdb::MsMs2617813HMDB35171#<Reference:0x0000555675a7e920>meatroastedroasted meatroastedmeat