1.02010-04-08 22:08:48 UTC2018-05-28 23:25:36 UTCFDB009797Methionyl butyrateIt is used as a food additive .3-(methylthio)propyl ButyrateC8H16O2S176.276176.0871004463-(methylsulfanyl)propyl butanoate3-(methylsulfanyl)propyl butanoate16630-60-7CCCC(=O)OCCCSCInChI=1S/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3HSCZLQOPSGMKTK-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.Fatty acid estersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acid estersAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersDialkylthioethersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesSulfenyl compoundsAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDialkylthioetherFatty acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundSulfenyl compoundThioetherlogp2.56logs-2.72solubility3.36e-01 g/llogp2.08pka_strongest_basic-7iupac3-(methylsulfanyl)propyl butanoateaverage_mass176.276mono_mass176.087100446smilesCCCC(=O)OCCCSCformulaC8H16O2SinchiInChI=1S/C8H16O2S/c1-3-5-8(9)10-6-4-7-11-2/h3-7H2,1-2H3inchikeyHSCZLQOPSGMKTK-UHFFFAOYSA-Npolar_surface_area26.3refractivity48.48polarizability20.53rotatable_bond_count7acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr5337Specdb::MsIr5338Specdb::CMs16189Specdb::CMs164679Specdb::MsMs102720Specdb::MsMs102721Specdb::MsMs102722Specdb::MsMs168588Specdb::MsMs168589Specdb::MsMs168590Specdb::MsMs2430241Specdb::MsMs2430242Specdb::MsMs2430243Specdb::MsMs2508613Specdb::MsMs2508614Specdb::MsMs2508615HMDB3237837902#<Reference:0x000055567562cbd8>cabbagesulfurous