Home Nitriles 1-Benzothiophene-5-carbonitrile

1-Benzothiophene-5-carbonitrile

CAS No.:
2060-63-1
Catalog Number:
AG002AGW
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$72
- +
250mg
95%
In Stock USA
United States
$135
- +
1g
95%
In Stock USA
United States
$269
- +
Product Description
Catalog Number:
AG002AGW
Chemical Name:
1-Benzothiophene-5-carbonitrile
CAS Number:
2060-63-1
Molecular Formula:
C9H5NS
Molecular Weight:
159.2077
MDL Number:
MFCD05664404
IUPAC Name:
1-benzothiophene-5-carbonitrile
InChI:
InChI=1S/C9H5NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H
InChI Key:
IPJUOWGTGHKFKN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccs2
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  
Properties