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| CAS No.: | 53715-67-6 |
|---|---|
| Name: | 5-BROMO-2-PHENYLTHIAZOLE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C9H6BrNS |
| Molecular Weight: | 240.123 |
| Synonyms: | 5-BROMO-2-PHENYLTHIAZOLE;5-broMo-2-phenyl-1,3-thiazole;2-Phenyl-5-broMothiazole |
| Density: | 1.563 g/cm3 |
| Melting Point: | 82℃ |
| Boiling Point: | 335.6 °C at 760 mmHg |
| Flash Point: | 156.8 °C |
| PSA: | 41.13000 |
| LogP: | 3.57260 |
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- Total:23 Page 1 of 1 1
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Specification
This product is an organic compound with the formula C9H6BrNS. The systematic name of this chemical is 5-bromo-2-phenyl-thiazole. With the CAS registry number 53715-67-6, it is also named as thiazole, 5-bromo-2-phenyl-.
The other characteristics of 5-Bromo-2-phenylthiazole can be summarized as: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 658.32; (6)ACD/BCF (pH 7.4): 658.33; (7)ACD/KOC (pH 5.5): 3622.76; (8)ACD/KOC (pH 7.4): 3622.78; (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: 1.635; (14)Molar Refractivity: 55.01 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 21.8×10-24 cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.563 g/cm3; (19)Flash Point: 156.8 °C; (20)Enthalpy of Vaporization: 55.57 kJ/mol; (21)Boiling Point: 335.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000231 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:c1ccc(cc1)c2ncc(s2)Br
2. InChI:InChI=1/C9H6BrNS/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H
3. InChIKey:QCVVLWIDBXNFEO-UHFFFAOYAF
4. Std. InChI:InChI=1S/C9H6BrNS/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H
5. Std. InChIKey:QCVVLWIDBXNFEO-UHFFFAOYSA-N