Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; | |
Synonyms |
1, 3-Benzothiazol-6-ylmethanol; |
Article Data | 1 |
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