Name: Name:2-(4-Methylphenyl)-benzothiazole
Brand: Angene
SKU: AG001S78
Rating: 90 (10 reviews)

2-(4-Methylphenyl)-benzothiazole

CAS No.:

16112-21-3

Catalog Number:

AG001S78

Molecular Formula:

C14H11NS

Molecular Weight:

225.3088

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

In Stock USA

United States

$167

- +

Product Description

Catalog Number:

AG001S78

Chemical Name:

2-(4-Methylphenyl)-benzothiazole

CAS Number:

16112-21-3

Molecular Formula:

C14H11NS

Molecular Weight:

225.3088

MDL Number:

MFCD00030228

IUPAC Name:

2-(4-methylphenyl)-1,3-benzothiazole

InChI:

InChI=1S/C14H11NS/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3

InChI Key:

JVPGYYNQTPWXGE-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)c1nc2c(s1)cccc2

Properties

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.309g/mol

Monoisotopic Mass:

225.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Bis{μ-[4-(1,3-benzothia-zol-2-yl)phen-yl]methane-thiol-ato-κS,S':S,S'}bis-[tricarbonyl-iron(I)](Fe-Fe).	Acta crystallographica. Section E, Structure reports online 20120301
Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking.	Bioorganic & medicinal chemistry 20110715

Properties