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CAS No.: | 46055-91-8 |
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Name: | 2-Benzothiazoleethanol(6CI,7CI,9CI) |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C9H9NOS |
Molecular Weight: | 179.243 |
Synonyms: | 2-(2-Hydroxyethyl)benzothiazole; |
Density: | 1.312 g/cm3 |
Boiling Point: | 325.5 °C at 760 mmHg |
Flash Point: | 150.7 °C |
PSA: | 61.36000 |
LogP: | 1.83110 |
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This chemical is called 2-(1,3-Benzothiazol-2-yl)ethanol, and its CAS registry number is 46055-91-8. With the molecular formula of C9H9NOS, its molecular weight is 179.24. Additionally, its product category is Benzothiazole.
Other characteristics of the 2-(1,3-Benzothiazol-2-yl)ethanol can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 50.36 Å2; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 51.65 cm3; (9)Molar Volume: 136.5 cm3; (10)Polarizability: 20.47×10-24cm3; (11)Surface Tension: 61 dyne/cm; (12)Density: 1.312 g/cm3; (13)Flash Point: 150.7 °C; (14)Enthalpy of Vaporization: 59.92 kJ/mol; (15)Boiling Point: 325.5 °C at 760 mmHg; (16)Vapour Pressure: 9.35E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1c2ccccc2sc1CCO
2.InChI: InChI=1/C9H9NOS/c11-6-5-9-10-7-3-1-2-4-8(7)12-9/h1-4,11H,5-6H2
2.InChIKey: LRMUYWUZEQHQLA-UHFFFAOYAA