1-(2-METHYL-1,3-THIAZOL-4-YL)ETHANONE

The Ethanone,1-(2-methyl-4-thiazolyl)-, with the CAS registry number 23002-78-0, is also known as 4-Acetyl-2-methylthiazole. This chemical's molecular formula is C₆H₇NOS and molecular weight is 141.1909. What's more, its IUPAC name and systematic name are the same which is called 1-(2-Methyl-1,3-thiazol-4-yl)ethanone.

Physical properties about Ethanone,1-(2-methyl-4-thiazolyl)-: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 47.35; (8)ACD/KOC (pH 7.4): 47.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 37.58 cm³; (15)Molar Volume: 119.9 cm³; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.177 g/cm³; (18)Flash Point: 88.9 °C; (19)Enthalpy of Vaporization: 45.98 kJ/mol; (20)Boiling Point: 223.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0967 mmHg at 25°C.

Preparation of Ethanone,1-(2-methyl-4-thiazolyl)-: it can be obtained by diazomethane and 2-methyl-thiazole-4-carbaldehyde. The reaction occurs with solvent CHCl₃ at ambient temperature. The yield is 40%.

Uses of Ethanone,1-(2-methyl-4-thiazolyl)-: it is used to produce other chemicals. For example, it can react with Semicarbazide; hydrochloride to get 4-Acetyl-2-methylthiazole semicarbazone. The reaction occurs with reagent sodium acetate and solvents ethanol, H₂O at ambient temperature. The yield is 90%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1nc(sc1)C)C
(2) InChI: InChI=1/C6H7NOS/c1-4(8)6-3-9-5(2)7-6/h3H,1-2H3
(3) InChIKey: UJIGIKQKDDJTJL-UHFFFAOYAU