Benzothiazole,5-methoxy-2-(2-pyridinyl)- supplier

Name
5-METHOXY-2-(2-PYRIDYL)BENZOTHIAZOLE
EINECS
CAS No. 39876-33-0
Article Data2
CAS DataBase
Density 1.283 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀N₂OS
Boiling Point 419.7 °C at 760mmHg
Molecular Weight 242.301
Flash Point 207.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzothiazole,5-methoxy-2-(2-pyridyl)- (6CI);5-Methoxy-2-(2-pyridyl)benzothiazole;
PSA 63.25000
LogP 3.36690

Benzothiazole,5-methoxy-2-(2-pyridinyl)- Specification

The Benzothiazole,5-methoxy-2-(2-pyridinyl)-, with the CAS registry number 39876-33-0, is also known as 5-Methoxy-2-(pyridin-2-yl)-1,3-benzothiazole. This chemical's molecular formula is C₁₃H₁₀N₂OS and molecular weight is 242.2963. What's more, its IUPAC name is called 5-Methoxy-2-pyridin-2-yl-1,3-benzothiazole.

Physical properties about Benzothiazole,5-methoxy-2-(2-pyridinyl)- are: (1)ACD/LogP: 2.68; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 63.25 Å²; (7)Index of Refraction: 1.662; (8)Molar Refractivity: 69.93 cm³; (9)Molar Volume: 188.7 cm³; (10)Polarizability: 27.72×10^-24 cm³; (11)Surface Tension: 54.3 dyne/cm; (12)Density: 1.283 g/cm³; (13)Flash Point: 207.6 °C; (14)Enthalpy of Vaporization: 64.73 kJ/mol; (15)Boiling Point: 419.7 °C at 760 mmHg; (16)Vapour Pressure: 7.29E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c3cc(OC)ccc3sc1c2ncccc2
(2) InChI: InChI=1/C13H10N2OS/c1-16-9-5-6-12-11(8-9)15-13(17-12)10-4-2-3-7-14-10/h2-8H,1H3
(3) InChIKey: UFPJZRHJGSFLKA-UHFFFAOYAI

Product Name

5-METHOXY-2-(2-PYRIDYL)BENZOTHIAZOLE

Benzothiazole,5-methoxy-2-(2-pyridinyl)- Specification

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