1.02010-04-08 22:15:46 UTC2018-05-29 01:51:49 UTCFDB0215453-Mercapto-2-butanoneIt is used as a food additive 3-mercaptobutan-2-oneFEMA 3298C4H8OS104.171104.0295855683-sulfanylbutan-2-one2-butanone, 3-mercapto-40789-98-8CC(S)C(C)=OInChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3XLMPYCGSRHSSSX-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 compoundlogp1.20logs-1.15solubility7.41e+00 g/llogp0.9pka_strongest_acidic9.5pka_strongest_basic-7.5iupac3-sulfanylbutan-2-oneaverage_mass104.171mono_mass104.029585568smilesCC(S)C(C)=OformulaC4H8OSinchiInChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3inchikeyXLMPYCGSRHSSSX-UHFFFAOYSA-Npolar_surface_area17.07refractivity28.52polarizability11rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs11999Specdb::CMs147055Specdb::MsIr4994Specdb::MsIr4995Specdb::MsIr4996Specdb::MsMs108117Specdb::MsMs108118Specdb::MsMs108119Specdb::MsMs175257Specdb::MsMs175258Specdb::MsMs175259Specdb::MsMs2433925Specdb::MsMs2433926Specdb::MsMs2433927Specdb::MsMs2505479Specdb::MsMs2505480Specdb::MsMs2505481Specdb::NmrOneD20242Specdb::NmrOneD20243Specdb::NmrOneD20244Specdb::NmrOneD20245Specdb::NmrOneD20246Specdb::NmrOneD20247Specdb::NmrOneD20248Specdb::NmrOneD20249Specdb::NmrOneD20250Specdb::NmrOneD20251Specdb::NmrOneD20252Specdb::NmrOneD20253Specdb::NmrOneD20254Specdb::NmrOneD20255Specdb::NmrOneD20256Specdb::NmrOneD20257Specdb::NmrOneD20258Specdb::NmrOneD20259Specdb::NmrOneD20260Specdb::NmrOneD20261HMDB31982#<Reference:0x0000555674ae0bd0>gassymeatyonionroastedsulfurous