- THIAZOLE
- Thiazole, 2-(1H-imidazol-1-yldiphenylmethyl)-
- Thiazole, 2-(3-methylphenyl)-
- Thiazole, 2-(4-fluorophenyl)-
- Thiazole, 2,5-diethyl-
- Thiazole,2-(1H-pyrrol-1-yl)-
- Thiazole,2-(2-methylphenyl)-
- Thiazole,2-(3-bromophenyl)-4,5-dihydro-
- Thiazole,2-(4-chlorophenyl)-
- Thiazole,2-(4-ethylphenyl)-
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Cas Database |
| Name |
Thiazole, 2-(4-fluorophenyl)- |
EINECS | N/A |
| CAS No. | 1005196-13-3 | Density | 1.265 g/cm3 |
| PSA | 41.13000 | LogP | 2.94920 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H6FNS | Boiling Point | 272.086 °C at 760 mmHg |
| Molecular Weight | 179.218 | Flash Point | 118.353 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(4-fluorophenyl)tetrahydroimidazo[1,5-a]pyridine-1,3(2h,5h)-dione;2-(4-fluoro-phenyl)-tetrahydro-imidazo[1,5-a]pyridine-1,3-dione;Imidazo[1,5-a]pyridine-1,3(2H,5H)-dione,2-(4-fluorophenyl)tetrahydro;2-(4-fluorophenyl)thiazole; |
Article Data | 8 |
Thiazole, 2-(4-fluorophenyl)- Specification
The Thiazole, 2-(4-fluorophenyl)-, with its CAS registry number 1005196-13-3, has the systematic name of 2-(4-fluorophenyl)-1,3-thiazole. And it has the molecular formula of C9H6FNS.
The characteristics of Thiazole, 2-(4-fluorophenyl)- are as follows: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 251; (6)ACD/BCF (pH 7.4): 251; (7)ACD/KOC (pH 5.5): 1816; (8)ACD/KOC (pH 7.4): 1817; (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: 1.583; (14)Molar Refractivity: 47.314 cm3; (15)Molar Volume: 141.631 cm3; (16)Polarizability: 18.757×10-24cm3; (17)Surface Tension: 44.141 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 118.353 °C; (20)Enthalpy of Vaporization: 48.981 kJ/mol; (21)Boiling Point: 272.086 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc2ccc(c1nccs1)cc2
(2)InChI:InChI=1/C9H6FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
(3)InChIKey:WZAFKSDODCFYPN-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C9H6FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H
(5)Std. InChIKey:WZAFKSDODCFYPN-UHFFFAOYSA-N
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