Home Nitriles Benzothiophene-2-carbonitrile

Benzothiophene-2-carbonitrile

CAS No.:
55219-11-9
Catalog Number:
AG00I9UM
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$169
- +
5g
95%
In Stock USA
United States
$513
- +
10g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00I9UM
Chemical Name:
Benzothiophene-2-carbonitrile
CAS Number:
55219-11-9
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
MDL Number:
MFCD09751294
IUPAC Name:
1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H5NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
InChI Key:
RCYHXESNWFYTCU-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(s1)cccc2
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:
3  
Literature
Title Journal
Synthesis and evaluation of benzo[b]thiophene derivatives as inhibitors of alkaline phosphatases. Bioorganic & medicinal chemistry 20091015
Properties