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1. Introduction of2-(2-Hydroxyphenyl)benzothiazole The 2-(2-Hydroxyphenyl)benzothiazole, with its CAS NO3411-95-8, is a kind of…
1. Introduction of 2-(2-Hydroxyphenyl)benzothiazole
The 2-(2-Hydroxyphenyl)benzothiazole, with its CAS NO 3411-95-8, is a kind of white powder. It has synonyms of Phenol,o-2-benzothiazolyl- (6CI,7CI,8CI);2-(2-Benzothiazolyl)phenol;2-(2'-Hydroxyphenyl)-2-benzothiazole;2-(2'-Hydroxyphenyl)benzothiazole;2-(Benzo[d]thiazol-2-yl)phenol;2-(o-Hydroxyphenyl)benzothiazole;HBT;NSC 5051 and NSC 58548.
2. Properties of 2-(2-Hydroxyphenyl)benzothiazole
ACD/LogP: 3.662 ACD/LogD (pH 5.5): 3.66 ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 5.5): 355.42 ACD/BCF (pH 7.4): 246.70
ACD/KOC (pH 5.5): 2326.62 ACD/KOC (pH 7.4): 1614.95
#H bond acceptors: 2 #H bond donors: 1
#Freely Rotating Bonds: 2 Polar Surface Area: 61.36 ?2
Index of Refraction: 1.719 Molar Refractivity: 67.045 cm3
Molar Volume: 169.967 cm3 Polarizability: 26.579 10-24cm3
Surface Tension: 61.9199981689453 dyne/cm Density: 1.337 g/cm3
Flash Point: 197.034 °C Enthalpy of Vaporization: 67.875 kJ/mol
Boiling Point: 402.184 °C at 760 mmHg
3. Structure descriptors of 2-(2-Hydroxyphenyl)benzothiazole
SMILES:Oc3ccccc3c1nc2ccccc2s1
Std. InChI:InChI=1S/C13H9NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H
Std. InChIKey:MVVGSPCXHRFDDR-UHFFFAOYSA-N
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