Basic information
- Name:
Benzothiazole,5-methoxy-2-(2-pyridinyl)-
- CAS No.:
39876-33-0
- Molecular Structure:
- Formula:
- C13H10N2OS
- Molecular Weight:
- 242.2963
- Synonyms:
- Benzothiazole,5-methoxy-2-(2-pyridyl)- (6CI);5-Methoxy-2-(2-pyridyl)benzothiazole;
- Density:
- 1.283 g/cm3
- Boiling Point:
- 419.7 °C at 760mmHg
- Flash Point:
- 207.6 °C
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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
