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1826-16-0

Basic Information
CAS No.: 1826-16-0
Name: Thiazole,2-methyl-4-phenyl-
Molecular Structure:
Molecular Structure of 1826-16-0 (Thiazole,2-methyl-4-phenyl-)
Formula: C10H9NS
Molecular Weight: 175.25
Synonyms: 2-Methyl-4-phenylthiazole;4-Phenyl-2-methyl-1,3-thiazole;
EINECS:
Density: 1.14 g/cm3
Melting Point: 215-216℃
Boiling Point: 295.1 °C at 760 mmHg
Flash Point: 135.9 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 41.13000
LogP: 3.11850
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Specification

This chemical is called Thiazole, 2-methyl-4-phenyl-, and its IUPAC name is 2-methyl-4-phenyl-1,3-thiazole. With the molecular formula of C10H9NS, its molecular weight is 175.25. The CAS registry number of this chemical is 1826-16-0.

Other characteristics of the Thiazole, 2-methyl-4-phenyl- can be summarised as followings: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.31; (6)ACD/BCF (pH 7.4): 87.68; (7)ACD/KOC (pH 5.5): 852.13; (8)ACD/KOC (pH 7.4): 855.71; (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: 20.67×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 135.9 °C; (20)Enthalpy of Vaporization: 51.34 kJ/mol; (21)Boiling Point: 295.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00274 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: n2c(c1ccccc1)csc2C
2.InChI: InChI=1/C10H9NS/c1-8-11-10(7-12-8)9-5-3-2-4-6-9/h2-7H,1H3
3.InChIKey: XROORURTAQOYLW-UHFFFAOYAV