1.02010-04-08 22:14:23 UTC2019-11-26 03:17:32 UTCFDB019497S-Methyl 3-methylthiobutyrateProduction by micrococaceae and coryneform bacteria isolated from cheesesand is) also in hop oil, honeydew melon, galbanum oil and (tentatively) cantaloupes. Flavouring ingredient. S-Methyl 3-methylthiobutyrate is found in milk and milk products and fruits.Butanethioic acid, 3-methyl-, S-methyl esterFEMA 3864Methanethiol isovalerateS-methyl 3-methylbutanethioateS-Methyl 3-methylthiobutyrateS-methyl thio-3-methylbutyrateS-methyl thioisovalerateC6H12OS132.224132.0608856963-methyl-1-(methylsulfanyl)butan-1-one3-methyl-1-(methylsulfanyl)butan-1-one23747-45-7CSC(=O)CC(C)CInChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3MPLWTJZAFOVXKP-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acyl thioesters. These are thioester derivatives of a fatty acid with the general formula RC(=O)SR', where R is the fatty acyl chain.Fatty acyl thioestersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acyl thioestersAliphatic acyclic compoundsCarbonyl compoundsCarbothioic S-estersCarboxylic acids and derivativesHydrocarbon derivativesOrganic oxidesSulfenyl compoundsThioestersAliphatic acyclic compoundCarbonyl groupCarbothioic s-esterCarboxylic acid derivativeFatty acyl thioesterHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundSulfenyl compoundThiocarboxylic acid esterThiocarboxylic acid or derivativeslogp1.71logs-1.80solubility2.11e+00 g/llogp2.11pka_strongest_basic-6iupac3-methyl-1-(methylsulfanyl)butan-1-oneaverage_mass132.224mono_mass132.060885696smilesCSC(=O)CC(C)CformulaC6H12OSinchiInChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3inchikeyMPLWTJZAFOVXKP-UHFFFAOYSA-Npolar_surface_area17.07refractivity37.48polarizability14.95rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr8384Specdb::MsIr8385Specdb::CMs13493Specdb::CMs137219Specdb::CMs144953Specdb::MsMs101676Specdb::MsMs101677Specdb::MsMs101678Specdb::MsMs167331Specdb::MsMs167332Specdb::MsMs167333Specdb::MsMs2470383Specdb::MsMs2470384Specdb::MsMs2470385Specdb::MsMs2494712Specdb::MsMs2494713Specdb::MsMs2494714Specdb::NmrOneD36482Specdb::NmrOneD36483Specdb::NmrOneD36484Specdb::NmrOneD36485Specdb::NmrOneD36486Specdb::NmrOneD36487Specdb::NmrOneD36488Specdb::NmrOneD36489Specdb::NmrOneD36490Specdb::NmrOneD36491Specdb::NmrOneD36492Specdb::NmrOneD36493Specdb::NmrOneD36494Specdb::NmrOneD36495Specdb::NmrOneD36496Specdb::NmrOneD36497Specdb::NmrOneD36498Specdb::NmrOneD36499Specdb::NmrOneD36500Specdb::NmrOneD36501HMDB39843#<Reference:0x00005556754fdc80>FruitsUnknowngenericMilk and milk productsUnknowngenericacridcheesefermentedmushroomripesharpsulfurytomato