Thiazole,2-ethyl-4,5-dimethyl- (873-64-3)

The 2-Ethyl-4,5-dimethylthiazole with the CAS number 873-64-3 is also called Thiazole,2-ethyl-4,5-dimethyl-. The systematic name is 2-ethyl-4,5-dimethyl-1,3-thiazole. Its molecular formula is C₇H₁₁NS. This chemical belongs to the following product categories: (1)Heterocyclic Compounds; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Thiazoles.

The properties of the 2-Ethyl-4,5-dimethylthiazole are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 47.31; (6)ACD/BCF (pH 7.4): 51.28; (7)ACD/KOC (pH 5.5): 537.66; (8)ACD/KOC (pH 7.4): 582.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 41.92 cm³; (15)Molar Volume: 137.5 cm³; (16)Polarizability: 16.62×10^-24cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Enthalpy of Vaporization: 42.14 kJ/mol; (19)Vapour Pressure: 0.402 mmHg at 25°C.

Uses: This chemical can prepare 2-ethyl-4,5-dimethyl-thiazole 3-oxide and 2-ethyl-4,5-dimethyl-thiazole 1,1,3-trioxide. This reaction needs reagent HOF*CH₃CN  and solvent CH₂Cl₂. The yield is 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(sc1CC)C)C
(2)InChI: InChI=1/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
(3)InChIKey: BVOKJOZBJOWZNJ-UHFFFAOYAM