Home Nitriles Benzo[b]thiophene-3-carbonitrile

Benzo[b]thiophene-3-carbonitrile

CAS No.:
24434-84-2
Catalog Number:
AG007N9P
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
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Product Description
Catalog Number:
AG007N9P
Chemical Name:
Benzo[b]thiophene-3-carbonitrile
CAS Number:
24434-84-2
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
MDL Number:
MFCD08276872
IUPAC Name:
1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C9H5NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H
InChI Key:
WBXHAYDGMCONLX-UHFFFAOYSA-N
SMILES:
N#Cc1csc2c1cccc2
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.206g/mol
Monoisotopic Mass:
159.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and evaluation of benzo[b]thiophene derivatives as inhibitors of alkaline phosphatases. Bioorganic & medicinal chemistry 20091015
Properties