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| CAS No.: | 59020-44-9 |
|---|---|
| Name: | 4-Phenylthiazole-2-carboxylic acid |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H7NO2S |
| Molecular Weight: | 205.237 |
| Synonyms: | 4-Phenylthiazole-2-carboxylicacid; |
| Density: | 1.368 g/cm3 |
| Boiling Point: | 431.5 °C at 760 mmHg |
| Flash Point: | 214.8 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 78.43000 |
| LogP: | 2.50830 |
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Specification
The 4-Phenylthiazole-2-carboxylic acid with the cas number 59020-44-9 is also called 2-thiazolecarboxylic acid, 4-phenyl-. The systematic name is 4-Phenyl-1,3-thiazole-2-carboxylic acid. Its molecular formula is C10H7NO2S. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Thiazoles, Isothiazoles &Benzothiazoles; (3)Carboxylic Acids; (4)Thiazoles, Isothiazoles & Benzothiazoles.
The properties of the chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 67.43 Å2; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 54.25 cm3; (13)Molar Volume: 149.9 cm3; (14)Polarizability: 21.5×10-24cm3; (15)Surface Tension: 61.5 dyne/cm; (16)Enthalpy of Vaporization: 72.43 kJ/mol; (17)Vapour Pressure: 3.26×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2nc(c1ccccc1)cs2
(2)InChI: InChI=1/C10H7NO2S/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
(3)InChIKey: ORSGNNVYFOPYKB-UHFFFAOYAU