1.02010-04-08 22:14:07 UTC2019-11-26 03:17:03 UTCFDB019069S-Methyl hexanethioatePresent in durian fruit (Durio zibethinus), fish oil, beer and hop oil. Flavouring ingredient. S-Methyl hexanethioate is found in many foods, some of which are fruits, alcoholic beverages, cereals and cereal products, and fishes.FEMA 3862Hexanethioic acid, s-methyl esterMethanethiol caproateS-Methyl hexanethioateC7H14OS146.25146.076535761-(methylsulfanyl)hexan-1-one1-(methylsulfanyl)hexan-1-one2432-77-1CCCCCC(=O)SCInChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3AKGAHYLJHAOPKQ-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 derivativeslogp2.49logs-2.51solubility4.50e-01 g/llogp2.71pka_strongest_basic-6iupac1-(methylsulfanyl)hexan-1-oneaverage_mass146.25mono_mass146.07653576smilesCCCCCC(=O)SCformulaC7H14OSinchiInChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3inchikeyAKGAHYLJHAOPKQ-UHFFFAOYSA-Npolar_surface_area17.07refractivity42.14polarizability17.06rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs22166Specdb::CMs146654Specdb::MsIr8170Specdb::MsIr8171Specdb::MsMs100404Specdb::MsMs100405Specdb::MsMs100406Specdb::MsMs165726Specdb::MsMs165727Specdb::MsMs165728Specdb::MsMs2287830Specdb::MsMs2287831Specdb::MsMs2287832Specdb::MsMs2648397Specdb::MsMs2648398Specdb::MsMs2648399HMDB39465#<Reference:0x0000555674e206d8>Alcoholic beveragesUnknowngenericBreakfast cerealType 2specificCereals and cereal productsUnknowngenericFishesUnknowngenericFruitsUnknowngenericetherealfruitygreentropical