CAS 3411-95-8|2-(1,3-benzothiazol-2-yl)phenol|2-(2-Hydroxyphenyl)-1,3-benzothiazole 98%|2-(1,3-benzothiazol-2-yl)phenol|2-(1,3-Benzothiazol-2-yl)phenol|2-(2-Hydroxyphenyl)benzothiazole|2-(2-羟基苯基)...

General Information

Structure

Molecular Formula

C₁₃H₉NOS

Molecular Mass

227.28166

Exact Mass

227.04048491

Charge

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

InChIKey

MVVGSPCXHRFDDR-UHFFFAOYSA-N

Canonic Smiles

Oc1ccccc1c1nc2c(s1)cccc2

Isomeric Smiles

n1c(c2ccccc2O)sc2ccccc12

Calculated Properties

JChem

LogD (pH = 7.4)

3.82

LogD (pH = 5.5)

3.83

Log P

3.83

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

8.79

Polar Surface Area

33.12

Polarizability

23.97

Molar Refractivity

74.21

LOG S

-3.95

Data Source

Names and Identifiers

IUPAC name

2-(1,3-benzothiazol-2-yl)phenol

Synonyms

2-(2-Hydroxyphenyl)-1,3-benzothiazole 98%2-(1,3-Benzothiazol-2-yl)phenol2-(2-Hydroxyphenyl)benzothiazole2-(2-羟基苯基)苯并噻唑2-(2-Benzothiazolyl)phenol2-(2-羟基苯)苯并噻唑2-(o-hydroxyphenyl)benzothiazole2-(2'-hydroxyphenyl)-2-benzothiazoleo-(2-benzothiazolyl)phenolHBT2-(2'-hydroxyphenyl)benzothiazole2-(2-hydroxyphenyl)-1,3-benzothiazole2-(2-benzothiazolyl)phenol2-(2-hydroxyphenyl)benzothiazole2-(1,3-benzothiazol-2-yl)phenolo-(benzothiazol-2-yl)phenol2-benzothiazol-2-ylphenol2-(benzo[d]thiazol-2-yl)phenol

IUPAC Traditional name

2-(1,3-benzothiazol-2-yl)phenol

Names and Identifiers

Registration numbers

CAS Number

EC Number

MDL Number

Beilstein Number