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Thiazole,5-phenyl-

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Name

Thiazole,5-phenyl-

EINECS N/A
CAS No. 1826-13-7 Density 1.173g/cm3
PSA 41.13000 LogP 2.81010
Solubility N/A Melting Point 45-46 °C
Formula C9H7NS Boiling Point 292.7 °C at 760 mmHg
Molecular Weight 161.227 Flash Point 135.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1826-13-7 (5-Phenylthiazole) Hazard Symbols N/A
Synonyms

5-Phenylthiazole;

 

Thiazole,5-phenyl- Specification

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

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