Ethanone,1-(6-benzothiazolyl)- (19989-35-6)

The CAS register number of 6-Acetylbenzothiazole is 19989-35-6. It also can be called as Ethanone,1-(6-benzothiazolyl)- and the systematic name about this chemical is 1-(1,3-benzothiazol-6-yl)ethanone. It belongs to the Benzothiazole.

Physical properties about 6-Acetylbenzothiazole are: (1)ACD/LogP: 1.40; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 58.2Ų; (5)Index of Refraction: 1.656; (6)Molar Refractivity: 50.599 cm³; (7)Molar Volume: 137.783 cm³; (8)Polarizability: 20.059x10^-24cm³; (9)Surface Tension: 54.054 dyne/cm; (10)Enthalpy of Vaporization: 55.139 kJ/mol; (11)Boiling Point: 310.549 °C at 760 mmHg; (12)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc2ncsc2c1)C
(2)InChI: InChI=1/C9H7NOS/c1-6(11)7-2-3-8-9(4-7)12-5-10-8/h2-5H,1H3
(3)InChIKey: KHIQJRVZQJFYKD-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H7NOS/c1-6(11)7-2-3-8-9(4-7)12-5-10-8/h2-5H,1H3
(5)Std. InChIKey: KHIQJRVZQJFYKD-UHFFFAOYSA-N