1.0 2010-04-08 22:09:23 UTC 2019-11-26 03:04:22 UTC FDB010950 2-Acetylthiazole 2-Acetylthiazole is an important flavouring component; antioxidant. Present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize. 1-(1,3-Thiazol-2-yl)ethanone 1-(2-Thiazolyl)-ethanone 1-(2-Thiazolyl)ethanone, 9CI 1-thiazol-2-yl-ethanone 2-Acetylthiazol 3,3'-DICARBOXYDIPHENYLMETHANE Ethanone, 1-(2-thiazolyl)- FEMA 3328 Ketone, methyl 2-thiazolyl Methyl 2-thiazolyl ketone, 8CI Thiazole, 2-acetyl C5H5NOS 127.164 127.009184477 1-(1,3-thiazol-2-yl)ethan-1-one 1-(1,3-thiazol-2-yl)ethanone 24295-03-2 CC(=O)C1=NC=CS1 InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3 MOMFXATYAINJML-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 0.51 ALOGPS logs -1.65 ALOGPS solubility 2.86e+00 g/l ALOGPS melting_point Mp 64.5-65.5° logp 0.57 ChemAxon pka_strongest_acidic 13.81 ChemAxon pka_strongest_basic 0.62 ChemAxon iupac 1-(1,3-thiazol-2-yl)ethan-1-one ChemAxon average_mass 127.164 ChemAxon mono_mass 127.009184477 ChemAxon smiles CC(=O)C1=NC=CS1 ChemAxon formula C5H5NOS ChemAxon inchi InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3 ChemAxon inchikey MOMFXATYAINJML-UHFFFAOYSA-N ChemAxon polar_surface_area 29.96 ChemAxon refractivity 31.15 ChemAxon polarizability 12.15 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1766 Specdb::CMs 2843 Specdb::CMs 28935 Specdb::CMs 101280 Specdb::CMs 157306 Specdb::MsMs 97203 Specdb::MsMs 97204 Specdb::MsMs 97205 Specdb::MsMs 161880 Specdb::MsMs 161881 Specdb::MsMs 161882 Specdb::MsMs 2460466 Specdb::MsMs 2460467 Specdb::MsMs 2460468 Specdb::MsMs 2478239 Specdb::MsMs 2478240 Specdb::MsMs 2478241 Specdb::MsIr 5841 Specdb::MsIr 5842 Specdb::NmrOneD 117018 Specdb::NmrOneD 117019 Specdb::NmrOneD 117020 Specdb::NmrOneD 117021 Specdb::NmrOneD 117022 Specdb::NmrOneD 117023 Specdb::NmrOneD 117024 Specdb::NmrOneD 117025 Specdb::NmrOneD 117026 Specdb::NmrOneD 117027 Specdb::NmrOneD 117028 Specdb::NmrOneD 117029 Specdb::NmrOneD 117030 Specdb::NmrOneD 117031 Specdb::NmrOneD 117032 Specdb::NmrOneD 117033 Specdb::NmrOneD 117034 Specdb::NmrOneD 117035 Specdb::NmrOneD 117036 Specdb::NmrOneD 117037 HMDB32964 #<Reference:0x00007f093c13b1a8> Alcoholic beverages Unknown generic Asparagus Type 1 specific Asparagus officinalis 4686 Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Brassicas Unknown generic 3705 Breakfast cereal Type 2 specific Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Cereals and cereal products Unknown generic Common mushroom Type 1 specific Agaricus bisporus 5341 Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/L Green vegetables Unknown generic Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Potato Type 1 specific Solanum tuberosum 4113 Pulses Unknown generic Rocket salad (ssp.) Type 1 specific Eruca vesicaria ssp. sativa 29727 chocolate hazelnut nut nutty popcorn roast roasted peanuts sulfur