| Identification | |
| Name: | Thiazole, 2-phenyl- |
| Synonyms: | 2-Phenyl-1,3-thiazole;2-Phenylthiazole; |
| CAS: | 1826-11-5 |
| Molecular Formula: | C9H7NS |
| Molecular Weight: | 161.22 |
| InChI: | InChI=1/C9H7NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.173 g/cm3 |
| Refractive index: | 1.604 |
| Specification: |
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. |
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