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6-Benzothiazolemethanol

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Name

6-Benzothiazolemethanol

EINECS N/A
CAS No. 19989-66-3 Density 1.375 g/cm3
PSA 61.36000 LogP 1.78860
Solubility N/A Melting Point 103.5℃
Formula C8H7NOS Boiling Point 332.6 °C at 760 mmHg
Molecular Weight 165.216 Flash Point 155 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xn:Harmful;
Molecular Structure Molecular Structure of 19989-66-3 (6-(HYDROXYMETHYL)BENZOTHIAZOLE) Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Synonyms

1, 3-Benzothiazol-6-ylmethanol;

Article Data 1

6-Benzothiazolemethanol Specification

The 6-Benzothiazolemethanol, with the CAS registry number of 19989-66-3, is also known as 6-Benzothiazolemethanol (8CI, 9CI). It belongs to the product category of Benzothiazole. This chemical's molecular formula is C8H7NOS and molecular weight is 165.21. What's more, its systematic name is called 1, 3-Benzothiazol-6-ylmethanol.

Physical properties about 6-Benzothiazolemethanol are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.5; (6)ACD/BCF (pH 7.4): 2.5; (7)ACD/KOC (pH 5.5): 67.01; (8)ACD/KOC (pH 7.4): 67.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.36 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 47.02 cm3; (15)Molar Volume: 120 cm3; (16)Surface Tension: 65.7 dyne/cm; (17)Density: 1.375 g/cm3; (18)Flash Point: 155 °C; (19)Enthalpy of Vaporization: 60.74 kJ/mol; (20)Boiling Point: 332.6 °C at 760 mmHg; (21)Vapour Pressure: 5.73E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1ccc2ncsc2c1
(2) InChI: InChI=1/C8H7NOS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-3,5,10H,4H2
(3) InChIKey: OZGXSRLIKDPNMX-UHFFFAOYAZ

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