1.02010-04-08 22:14:39 UTC2019-11-26 03:17:58 UTCFDB019880(Methylthio)acetonePresent in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. Flavouring agent. (Methylthio)acetone is found in fats and oils, pulses, and animal foods.(Methylthio)acetone, 8CI1-(Methylthio)-2-propanone, 9CI1-methylsulfanyl-propan-2-one1-methylthio-2-propanone2-Thia-4-pentanoneFEMA 3882C4H8OS104.171104.0295855681-(methylsulfanyl)propan-2-one1-(methylsulfanyl)propan-2-one14109-72-9CSCC(C)=OInChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3UKFADLGENFFWHR-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 compoundsDialkylthioethersHydrocarbon derivativesOrganic oxidesSulfenyl compoundsAliphatic acyclic compoundDialkylthioetherHydrocarbon derivativeKetoneOrganic oxideOrganosulfur compoundSulfenyl compoundThioetherlogp1.08logs-0.78solubility1.75e+01 g/llogp0.72pka_strongest_acidic18.72pka_strongest_basic-7.5iupac1-(methylsulfanyl)propan-2-oneaverage_mass104.171mono_mass104.029585568smilesCSCC(C)=OformulaC4H8OSinchiInChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3inchikeyUKFADLGENFFWHR-UHFFFAOYSA-Npolar_surface_area17.07refractivity28.68polarizability11.23rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs25327Specdb::CMs154992Specdb::MsIr8721Specdb::MsIr8722Specdb::NmrOneD38722Specdb::NmrOneD38723Specdb::NmrOneD38724Specdb::NmrOneD38725Specdb::NmrOneD38726Specdb::NmrOneD38727Specdb::NmrOneD38728Specdb::NmrOneD38729Specdb::NmrOneD38730Specdb::NmrOneD38731Specdb::NmrOneD38732Specdb::NmrOneD38733Specdb::NmrOneD38734Specdb::NmrOneD38735Specdb::NmrOneD38736Specdb::NmrOneD38737Specdb::NmrOneD38738Specdb::NmrOneD38739Specdb::NmrOneD38740Specdb::NmrOneD38741Specdb::MsMs70950Specdb::MsMs70951Specdb::MsMs70952Specdb::MsMs129522Specdb::MsMs129523Specdb::MsMs129524Specdb::MsMs2450938Specdb::MsMs2450939Specdb::MsMs2450940Specdb::MsMs2487252Specdb::MsMs2487253Specdb::MsMs2487254HMDB40170#<Reference:0x0000555675e87210>Fats and oilsUnknowngenericPulsesUnknowngenericmelon