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CAS No.: | 1826-13-7 |
---|---|
Name: | 5-Phenylthiazole |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C9H7NS |
Molecular Weight: | 161.227 |
Synonyms: | 5-Phenylthiazole; |
Density: | 1.173g/cm3 |
Melting Point: | 45-46 °C |
Boiling Point: | 292.7 °C at 760 mmHg |
Flash Point: | 135.4 °C |
PSA: | 41.13000 |
LogP: | 2.81010 |
The Thiazole,5-phenyl-, with CAS registry number 1826-13-7, has the systematic name of 5-phenyl-1,3-thiazole. Besides this, it is also called 5-Phenylthiazole. And the chemical formula of this chemical is C9H7NS.
Physical properties of Thiazole,5-phenyl-: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.53; (6)ACD/BCF (pH 7.4): 27.54; (7)ACD/KOC (pH 5.5): 373.43; (8)ACD/KOC (pH 7.4): 373.58; (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: 1.604; (14)Molar Refractivity: 47.32 cm3; (15)Molar Volume: 137.4 cm3; (16)Polarizability: 18.75×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 135.4 °C; (20)Enthalpy of Vaporization: 51.09 kJ/mol; (21)Boiling Point: 292.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00316 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(sc1)c2ccccc2
(2)InChI: InChI=1/C9H7NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
(3)InChIKey: ZLLOWHFKKIOINR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
(5)Std. InChIKey: ZLLOWHFKKIOINR-UHFFFAOYSA-N