2-(2'-Hydroxy-3'-methoxyphenyl)benzothiazole

HCID 95754

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6265-93-6
Standard SMILES: COc1cccc(-c2nc3ccccc3s2)c1O
InChIKey: CKFLKUKQCSXXBI-UHFFFAOYSA-N
Molecular formula: C14H11NO2S
Average molar mass: 257.31 g/mol
Monoisotopic mass: 257.05104977

Overview

structure in first source

Names & identifiers

Preferred name: 2-(2'-Hydroxy-3'-methoxyphenyl)benzothiazole
IUPAC: 2-(1,3-benzothiazol-2-yl)-6-methoxyphenol

Names & synonyms

6265-93-62-(2'-Hydroxy-3'-methoxyphenyl)benzothiazoleRefChem:83873Phenol, 2-(2-benzothiazolyl)-6-methoxy-2-(1,3-BENZOTHIAZOL-2-YL)-6-METHOXYPHENOL2-(Benzo[d]thiazol-2-yl)-6-methoxyphenolBRN 0536694NSC33162MLS000716124SCHEMBL5976929CHEMBL1509336SCHEMBL30466254

Show more names

DTXSID80978218CKFLKUKQCSXXBI-UHFFFAOYSA-NHMS2630F03NSC 33162NSC-33162STL509211AKOS000408362NCGC00245413-01

Database identifiers

CAS: 6265-93-6
PubChem CID: 95754
DTXSID: DTXSID80978218
ChEMBL: CHEMBL1509336
Nikkaji: J2.773.311E

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 70.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 289

Related reactions

1 records

New reaction record

HRID 589262As productuspto-grants-2016_01

Compound notes

Loading…