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39187-97-8

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Basic Information
CAS No.: 39187-97-8
Name: 2-(4-fluorophenyl)thiazole
Article Data: 5
Molecular Structure:
Molecular Structure of 39187-97-8 (2-(4-fluorophenyl)thiazole)
Formula: C10H9NS
Molecular Weight: 175.254
Synonyms: 2-o-Tolylthiazole;
Density: 1.14 g/cm3
Boiling Point: 296.9 °C at 760 mmHg
Flash Point: 137.2 °C
PSA: 41.13000
LogP: 3.11850
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Specification

The Thiazole, 2-(2-methylphenyl)-, with the CAS registry number 39187-97-8, is also known as 2-o-Tolylthiazole. This chemical's molecular formula is C10H9NS and molecular weight is 175.2502. What's more, its systematic name is 2-(2-Methylphenyl)-1, 3-thiazole.

Physical properties about Thiazole, 2-(2-methylphenyl)- are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 381.36; (6)ACD/BCF (pH 7.4): 381.59; (7)ACD/KOC (pH 5.5): 2450.45; (8)ACD/KOC (pH 7.4): 2451.93; (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: 1.593; (14)Molar Refractivity: 52.14 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 20.67×10-24 cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 137.2 °C; (20)Enthalpy of Vaporization: 51.53 kJ/mol; (21)Boiling Point: 296.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00246 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccccc1c2nccs2
(2) InChI: InChI=1/C10H9NS/c1-8-4-2-3-5-9(8)10-11-6-7-12-10/h2-7H,1H3
(3) InChIKey: JIZBVGAQYNMQLL-UHFFFAOYAY