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42156-13-8

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Basic Information
CAS No.: 42156-13-8
Name: 2-o-tolylthiazole
Molecular Structure:
Molecular Structure of 42156-13-8 (2-o-tolylthiazole)
Formula: C10H9NS
Molecular Weight: 175.254
Synonyms: 2-o-tolylthiazole
Density: 1.14 g/cm3
Boiling Point: 302.7 °C at 760 mmHg
Flash Point: 141.4 °C
PSA: 41.13000
LogP: 3.11850
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Specification

The Thiazole, 2-(3-methylphenyl)- is an organic compound with the formula C10H9NS. The systematic name of this chemical is 2-(3-methylphenyl)-1,3-thiazole. With the CAS registry number 42156-13-8, it is also named as 2-(m-Tolyl)thiazole.

Physical properties about Thiazole, 2-(3-methylphenyl)- are: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 3.7; (3)ACD/LogD (pH 7.4): 3.7; (4)ACD/BCF (pH 5.5): 381.29; (5)ACD/BCF (pH 7.4): 381.59; (6)ACD/KOC (pH 5.5): 2450.05; (7)ACD/KOC (pH 7.4): 2451.92; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 52.14 cm3; (13)Molar Volume: 153.6 cm3; (14)Polarizability: 20.67×10-24cm3; (15)Surface Tension: 43.8 dyne/cm; (16)Density: 1.14 g/cm3; (17)Flash Point: 141.4 °C; (18)Enthalpy of Vaporization: 52.13 kJ/mol; (19)Boiling Point: 302.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00174 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1)c2nccs2
(2)InChI: InChI=1/C10H9NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-7H,1H3
(3)InChIKey: ZYAYLXRHPOSSRA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H9NS/c1-8-3-2-4-9(7-8)10-11-5-6-12-10/h2-7H,1H3
(5)Std. InChIKey: ZYAYLXRHPOSSRA-UHFFFAOYSA-N