1.0 2010-04-08 22:12:16 UTC 2019-11-26 03:12:50 UTC FDB016164 2-Propanoylthiazole 2-Propanoylthiazole is a cysteine-derived Maillard product. It is found in cooked spinach leaves, and fats and oils. It can be used as a flavouring ingredient. 1-(2-Thiazolyl)-1-propanone 1-(2-Thiazolyl)-1-propanone, 9CI 1-Propanone, 1-(2-thiazolyl)- 2-(1-propanonyl)thiazole 2-Propanoyl-thiazole 2-Propionyl thiazole 2-Propionyl-thiazole 2-propionylthiazol 2-Propionylthiazole 2-thiazolyl-1-propanone Ethyl 2-thiazolyl ketone FEMA 3611 Thiazole, 2-(1-oxopropyl) Thiazole, 2-propionyl- C6H7NOS 141.191 141.024834541 1-(1,3-thiazol-2-yl)propan-1-one thiazole, 2-propionyl- 43039-98-1 CCC(=O)C1=NC=CS1 InChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3 TYRAENAWSLPSLW-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Thiazoles Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Thiazole logp 1.05 ALOGPS logs -1.83 ALOGPS solubility 2.07e+00 g/l ALOGPS logp 1.27 ChemAxon pka_strongest_acidic 14.4 ChemAxon pka_strongest_basic 0.6 ChemAxon iupac 1-(1,3-thiazol-2-yl)propan-1-one ChemAxon average_mass 141.191 ChemAxon mono_mass 141.024834541 ChemAxon smiles CCC(=O)C1=NC=CS1 ChemAxon formula C6H7NOS ChemAxon inchi InChI=1S/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3 ChemAxon inchikey TYRAENAWSLPSLW-UHFFFAOYSA-N ChemAxon polar_surface_area 29.96 ChemAxon refractivity 35.77 ChemAxon polarizability 14.25 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10741 Specdb::CMs 153313 Specdb::MsIr 7432 Specdb::MsIr 7433 Specdb::MsMs 82059 Specdb::MsMs 82060 Specdb::MsMs 82061 Specdb::MsMs 143319 Specdb::MsMs 143320 Specdb::MsMs 143321 Specdb::MsMs 2670579 Specdb::MsMs 2670580 Specdb::MsMs 2670581 Specdb::MsMs 3008608 Specdb::MsMs 3008609 Specdb::MsMs 3008610 Specdb::NmrOneD 139250 Specdb::NmrOneD 139251 Specdb::NmrOneD 139252 Specdb::NmrOneD 139253 Specdb::NmrOneD 139254 Specdb::NmrOneD 139255 Specdb::NmrOneD 139256 Specdb::NmrOneD 139257 Specdb::NmrOneD 139258 Specdb::NmrOneD 139259 Specdb::NmrOneD 139260 Specdb::NmrOneD 139261 Specdb::NmrOneD 139262 Specdb::NmrOneD 139263 Specdb::NmrOneD 139264 Specdb::NmrOneD 139265 Specdb::NmrOneD 139266 Specdb::NmrOneD 139267 Specdb::NmrOneD 139268 Specdb::NmrOneD 139269 HMDB37168 #<Reference:0x000055ce31bd6d48> Fats and oils Unknown generic Green vegetables Unknown generic bread cereal nutty popcorn