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19989-35-6

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Basic Information
CAS No.: 19989-35-6
Name: Ethanone, 1-(6-benzothiazolyl)- (9CI)
Article Data: 8
Molecular Structure:
Molecular Structure of 19989-35-6 (Ethanone, 1-(6-benzothiazolyl)- (9CI))
Formula: C9H7NOS
Molecular Weight: 177.227
Synonyms: Ketone,6-benzothiazolyl methyl (8CI);6-Acetylbenzothiazole;6-Benzothiazolyl methylketone;
Density: 1.286 g/cm3
Melting Point: 96-97 °C
Boiling Point: 310.549 °C at 760 mmHg
Flash Point: 141.616 °C
PSA: 58.20000
LogP: 2.49890
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Specification

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: 58.2Å2; (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