1.0 2010-04-08 22:08:50 UTC 2018-05-28 23:26:05 UTC FDB009861 2-(4-Methyl-5-thiazolyl)ethyl butanoate It is used as a food additive . 2-(4-Methylthiazol-5-yl)ethyl butyrate C10H15NO2S 213.297 213.082349419 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate 94159-31-6 CCCC(=O)OCCC1=C(C)N=CS1 InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3 GDRZNYCKSKHESZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. 4,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 4 and 5 only. 4,5-disubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds 4,5-disubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 2.69 ALOGPS logs -2.84 ALOGPS solubility 3.09e-01 g/l ALOGPS logp 2 ChemAxon pka_strongest_basic 2.52 ChemAxon iupac 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate ChemAxon average_mass 213.297 ChemAxon mono_mass 213.082349419 ChemAxon smiles CCCC(=O)OCCC1=C(C)N=CS1 ChemAxon formula C10H15NO2S ChemAxon inchi InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3 ChemAxon inchikey GDRZNYCKSKHESZ-UHFFFAOYSA-N ChemAxon polar_surface_area 39.19 ChemAxon refractivity 55.7 ChemAxon polarizability 23.22 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16543 Specdb::CMs 130990 Specdb::CMs 138724 Specdb::MsMs 105363 Specdb::MsMs 105364 Specdb::MsMs 105365 Specdb::MsMs 171840 Specdb::MsMs 171841 Specdb::MsMs 171842 Specdb::MsMs 2265102 Specdb::MsMs 2265103 Specdb::MsMs 2265104 Specdb::MsMs 3074403 Specdb::MsMs 3074404 Specdb::MsMs 3074405 HMDB32418 10979 #<Reference:0x000055ce3186fa38> nutty roasted