CAS 38210-35-4 | 2-(Benzo[b]thiophen-2-yl)pyridine | CAS Number 38210-35-4

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38210-35-4 | 2-(Benzo[b]thiophen-2-yl)pyridine

CAS No: 38210-35-4 Catalog No: AG003ESN MDL No:MFCD08457652

Product Description

Catalog Number:

AG003ESN

Chemical Name:

2-(Benzo[b]thiophen-2-yl)pyridine

CAS Number:

38210-35-4

Molecular Formula:

C13H9NS

Molecular Weight:

211.2823

MDL Number:

MFCD08457652

IUPAC Name:

2-(1-benzothiophen-2-yl)pyridine

InChI:

InChI=1S/C13H9NS/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11/h1-9H

InChI Key:

NRSBAUDUBWMTGL-UHFFFAOYSA-N

SMILES:

c1ccc(nc1)c1cc2c(s1)cccc2

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.282g/mol

Monoisotopic Mass:

211.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Acid induced acetylacetonato replacement in biscyclometalated iridium(III) complexes.	Dalton transactions (Cambridge, England : 2003) 20120407
Synthesis and evaluation of benzo[b]thiophene derivatives as inhibitors of alkaline phosphatases.	Bioorganic & medicinal chemistry 20091015
Narrow-line and broadband spectra of iridium(III) complexes in a Shpol'skii matrix and an amorphous host.	The journal of physical chemistry. A 20060817