2-PHENYLTHIAZOLE

The 2-Phenylthiazole is an organic compound with the formula C₉H₇NS. The IUPAC name of this chemical is 2-phenyl-1,3-thiazole. With the CAS registry number 1826-11-5, it is also named as Thiazole, 2-phenyl-. The molecular weight is 161.22.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 170.48; (6)ACD/BCF (pH 7.4): 170.58; (7)ACD/KOC (pH 5.5): 1377.13; (8)ACD/KOC (pH 7.4): 1377.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 47.32 cm³; (14)Molar Volume: 137.4 cm³; (15)Polarizability: 18.75×10^-24 cm³; (16)Surface Tension: 46 dyne/cm; (17)Enthalpy of Vaporization: 49.52 kJ/mol; (18)Vapour Pressure: 0.00765 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 161.02992; (21)MonoIsotopic Mass: 161.02992; (22)Topological Polar Surface Area: 41.1; (23)Heavy Atom Count: 11; (24)Complexity: 121.

Preparation of 2-Phenylthiazole: It can be obtained by 2-phenylthiazole 3-oxide. This reaction needs reagent PCl₃ and solvent CHCl₃ at temperature of 70 °C. The reaction time is 70 min. The yield is 99%.

Uses of 2-Phenylthiazole: It can be used to produce 5-bromo-2-phenyl-thiazole. This reaction needs reagent Br₂ and solvent CHCl₃. The reaction time is 20 hours. The yield is 62%. 

People can use the following data to convert to the molecule structure.
1. SMILES:n1ccsc1c2ccccc2
2. InChI:InChI=1/C9H7NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H
3. InChIKey:WYKHSBAVLOPISI-UHFFFAOYAI