CAS 56048-53-4 | 2-(2-BENZOTHIAZOLYL)-6-METHYLPHENOL | CAS Number 56048-53-4

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56048-53-4 | 2-(2-BENZOTHIAZOLYL)-6-METHYLPHENOL

CAS No: 56048-53-4 Catalog No: AG00DC2K MDL No:

Product Description

Catalog Number:

AG00DC2K

Chemical Name:

2-(2-BENZOTHIAZOLYL)-6-METHYLPHENOL

CAS Number:

56048-53-4

Molecular Formula:

C14H11NOS

Molecular Weight:

241.3082

IUPAC Name:

2-(1,3-benzothiazol-2-yl)-6-methylphenol

InChI:

InChI=1S/C14H11NOS/c1-9-5-4-6-10(13(9)16)14-15-11-7-2-3-8-12(11)17-14/h2-8,16H,1H3

InChI Key:

NABPZMVNQIEOIO-UHFFFAOYSA-N

SMILES:

Cc1cccc(c1O)c1nc2c(s1)cccc2

Properties

Complexity:

273

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.308g/mol

Monoisotopic Mass:

241.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
[A new type of iridium (III) phenylpyrazole complexes: synthesis, photophysical characterization].	Guang pu xue yu guang pu fen xi = Guang pu 20100901
Syntheses, characterization, and ethylene polymerization of titanium and zirconium complexes with [N, O] ligands.	Dalton transactions (Cambridge, England : 2003) 20091107