2-(2′-Hydroxyphenyl)benzothiazole

C₁₃H₉NOSCAS 3411-95-8227.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₉NOS
Molar mass: 227.28 g/mol
Exact mass: 227.0405 Da
Melting point: 131 °C
Boiling point: 175–193 °C
logP: 3.67Crippen estimate
Polar surface area: 33.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

3411-95-8

SMILES

Oc1ccccc1-c1nc2ccccc2s1

InChIKey

MVVGSPCXHRFDDR-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Phenol, o-2-benzothiazolyl-
Phenol, 2-(2-benzothiazolyl)-
2-(2-Benzothiazolyl)phenol
2-(o-Hydroxyphenyl)benzothiazole
2-(2-Hydroxyphenyl)benzothiazole
HBT
NSC 5051
NSC 58548
2-(Benzo[d]thiazol-2-yl)phenol
2-(2′-Hydroxyphenyl)-2-benzothiazole
2-(2-Hydroxyphenyl)-1,3-benzothiazole
2-(1,3-Benzothiazol-2-yl)phenol

Work with 2-(2′-Hydroxyphenyl)benzothiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Phenylbenzothiazole883-93-255 % similar 2-Benzothiazolinone934-34-952 % similar 2-(4-Bromophenyl)benzothiazole19654-19-447 % similar 2-(4-Aminophenyl)benzothiazole6278-73-547 % similar 2,2'-Biphenol1806-29-745 % similar 2-Hydrazinylbenzothiazole615-21-444 % similar 2-(2-Hydroxyphenyl)benzoxazole835-64-344 % similar 2-Fluorobenzothiazole1123-98-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dibenzo[B,F][1,4]thiazepin-11(10H)-one3159-07-7 1-Isothiocyanato-4-phenoxybenzene3529-87-1

Elsewhere

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