1.02010-04-08 22:08:33 UTC2018-05-28 23:23:03 UTCFDB009371S-Ethyl 2-acetylaminoethanethioateIt is used as a food additive .C6H11NO2S161.22161.051049772N-[2-(ethylsulfanyl)-2-oxoethyl]ethanimidic acidN-[2-(ethylsulfanyl)-2-oxoethyl]ethanimidic acid4396-62-7CCSC(=O)CN=C(C)OInChI=1S/C6H11NO2S/c1-3-10-6(9)4-7-5(2)8/h3-4H2,1-2H3,(H,7,8)LLRORYLEZABTBA-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.N-acyl-alpha amino acids and derivativesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic acyclic compoundsAcetamidesCarbonyl compoundsCarbothioic S-estersHydrocarbon derivativesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsSecondary carboxylic acid amidesSulfenyl compoundsThioestersAcetamideAliphatic acyclic compoundCarbonyl groupCarbothioic s-esterCarboxamide groupHydrocarbon derivativeN-acyl-alpha amino acid or derivativesOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfur compoundSecondary carboxylic acid amideSulfenyl compoundThiocarboxylic acid esterThiocarboxylic acid or derivativeslogp0.74logs-1.26solubility8.78e+00 g/llogp0.64pka_strongest_acidic6pka_strongest_basic2.49iupacN-[2-(ethylsulfanyl)-2-oxoethyl]ethanimidic acidaverage_mass161.22mono_mass161.051049772smilesCCSC(=O)CN=C(C)OformulaC6H11NO2SinchiInChI=1S/C6H11NO2S/c1-3-10-6(9)4-7-5(2)8/h3-4H2,1-2H3,(H,7,8)inchikeyLLRORYLEZABTBA-UHFFFAOYSA-Npolar_surface_area49.66refractivity41.83polarizability16.63rotatable_bond_count4acceptor_count3donor_count1physiological_charge0formal_charge0Specdb::MsMs61830Specdb::MsMs61831Specdb::MsMs61832Specdb::MsMs118440Specdb::MsMs118441Specdb::MsMs118442Specdb::MsMs3604927Specdb::MsMs3604928Specdb::MsMs3604929Specdb::MsMs3606149Specdb::MsMs3606150Specdb::MsMs3606151552426meatypungent