6-Benzothiazolemethanol supplier

Name
6-(HYDROXYMETHYL)BENZOTHIAZOLE
EINECS
CAS No. 19989-66-3
Article Data1
CAS DataBase
Density 1.375 g/cm³
Solubility
Melting Point 103.5℃
Formula C₈H₇NOS
Boiling Point 332.6 °C at 760 mmHg
Molecular Weight 165.216
Flash Point 155 °C
Transport Information
Appearance
Safety
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Synonyms 1, 3-Benzothiazol-6-ylmethanol;
PSA 61.36000
LogP 1.78860

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

Product Name

6-(HYDROXYMETHYL)BENZOTHIAZOLE

6-Benzothiazolemethanol Specification

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