Name: Name:Benzonitrile, 4-(2-benzothiazolyl)-
Brand: Angene
SKU: AG0026X1
Rating: 90 (10 reviews)

Benzonitrile, 4-(2-benzothiazolyl)-

CAS No.:

17930-02-8

Catalog Number:

AG0026X1

Molecular Formula:

C14H8N2S

Molecular Weight:

236.2917

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Product Description

Catalog Number:

AG0026X1

Chemical Name:

Benzonitrile, 4-(2-benzothiazolyl)-

CAS Number:

17930-02-8

Molecular Formula:

C14H8N2S

Molecular Weight:

236.2917

MDL Number:

MFCD01318461

IUPAC Name:

4-(1,3-benzothiazol-2-yl)benzonitrile

InChI:

InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H

InChI Key:

FOURLJNIFQPOFD-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)c1nc2c(s1)cccc2

Properties

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.292g/mol

Monoisotopic Mass:

236.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
A basis for reduced chemical library inhibition of firefly luciferase obtained from directed evolution.	Journal of medicinal chemistry 20090312

Properties