2-(2-Bromo-thiazol-4-yl)-pyridine supplier

Name
2-(2-Bromo-thiazol-4-yl)-pyridine
EINECS
CAS No. 886370-89-4
Density 1.642 g/cm³
Solubility
Melting Point
Formula C₈H₅BrN₂S
Boiling Point 346.5 °C at 760 mmHg
Molecular Weight 241.1077
Flash Point 163.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2-BROMO-THIAZOL-4-YL)-PYRIDINE;2-Bromo-4-(pyridin-2-yl)thiazole;Pyridine, 2-(2-broMo-4-thiazolyl)-;2-(2-Bromo-4-thiazolyl)pyridine;2-BROMO-4-(2-PYRIDYL)THIAZOLE
PSA 54.02000
LogP 2.96760

2-(2-Bromo-thiazol-4-yl)-pyridine Specification

The 2-(2-Bromo-thiazol-4-yl)-pyridine is an organic compound with the formula C₈H₅BrN₂S. The IUPAC name of this chemical is 2-bromo-4-pyridin-2-yl-1,3-thiazole. With the CAS registry number 886370-89-4, it is also named as pyridine, 2-(2-bromo-4-thiazolyl)-. In addition, the molecular weight is 241.1077.

The other characteristics of 2-(2-Bromo-thiazol-4-yl)-pyridine can be summarized as: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.31; (6)ACD/BCF (pH 7.4): 35.31; (7)ACD/KOC (pH 5.5): 446.31; (8)ACD/KOC (pH 7.4): 446.31; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.02 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 53.1 cm³; (15)Molar Volume: 146.8 cm³; (16)Surface Tension: 56.5 dyne/cm; (17)Enthalpy of Vaporization: 56.73 kJ/mol; (18)Vapour Pressure: 0.000115 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 239.935681; (21)MonoIsotopic Mass: 239.935681; (22)Topological Polar Surface Area: 54; (23)Heavy Atom Count: 12; (24)Complexity: 156.

People can use the following data to convert to the molecule structure.
1. SMILES:c1ccnc(c1)c2csc(n2)Br
2. InChI:InChI=1/C8H5BrN2S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H
3. InChIKey:VRJPUEYEMIISBG-UHFFFAOYAO
4. Std. InChI:InChI=1S/C8H5BrN2S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H
5. Std. InChIKey:VRJPUEYEMIISBG-UHFFFAOYSA-N

Product Name

2-(2-Bromo-thiazol-4-yl)-pyridine

2-(2-Bromo-thiazol-4-yl)-pyridine Specification

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