1.02010-04-08 22:04:46 UTC2019-11-26 02:55:38 UTCFDB0009262-Ethyl-4-methylthiazoleOrganoleptic, occurring mainly in coffee aroma, also cooked uncured pork and fennel. Flavouring agent. 2-Ethyl-4-methylthiazole is found in coffee and coffee products, animal foods, and green vegetables.2-Ethyl-4-methyl-1,3-thiazole2-Ethyl-4-methyl-thiazole4-methyl-2-ethylthiazoleFEMA 3680Thiazole, 2-ethyl-4-methyl-C6H9NS127.207127.0455699832-ethyl-4-methyl-1,3-thiazole2-ethyl-4-methyl-1,3-thiazole15679-12-6CCC1=NC(C)=CS1InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3VGRVKVGGUPOCMT-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. 2,4-disubstituted thiazoles are compounds containing a thiazole ring substituted at the positions 2 and 3.2,4-disubstituted thiazolesOrganic compoundsOrganoheterocyclic compoundsAzolesThiazolesAromatic heteromonocyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compounds2,4-disubstituted 1,3-thiazoleAromatic heteromonocyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundLiquidlogp2.36logs-1.97solubility1.36e+00 g/llogp1.59pka_strongest_basic3.33iupac2-ethyl-4-methyl-1,3-thiazoleaverage_mass127.207mono_mass127.045569983smilesCCC1=NC(C)=CS1formulaC6H9NSinchiInChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3inchikeyVGRVKVGGUPOCMT-UHFFFAOYSA-Npolar_surface_area12.89refractivity34.93polarizability14.22rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr3649Specdb::MsIr3650Specdb::CMs14031Specdb::CMs28930Specdb::CMs100433Specdb::CMs135967Specdb::CMs143701Specdb::NmrOneD159230Specdb::NmrOneD159231Specdb::NmrOneD159232Specdb::NmrOneD159233Specdb::NmrOneD159234Specdb::NmrOneD159235Specdb::NmrOneD159236Specdb::NmrOneD159237Specdb::NmrOneD159238Specdb::NmrOneD159239Specdb::NmrOneD159240Specdb::NmrOneD159241Specdb::NmrOneD159242Specdb::NmrOneD159243Specdb::NmrOneD159244Specdb::NmrOneD159245Specdb::NmrOneD159246Specdb::NmrOneD159247Specdb::NmrOneD159248Specdb::NmrOneD159249Specdb::MsMs60834Specdb::MsMs60835Specdb::MsMs60836Specdb::MsMs117252Specdb::MsMs117253Specdb::MsMs117254Specdb::MsMs3052691Specdb::MsMs3052692Specdb::MsMs3052693Specdb::MsMs3113843Specdb::MsMs3113844Specdb::MsMs3113845HMDB29730#<Reference:0x00005556744c01b0>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericGreen vegetablesUnknowngenericRobusta coffeeType 1specificCoffea canephora49390greennuttypistachio