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Home Nitriles 2-(Thiophen-2-yl)acetonitrile

2-(Thiophen-2-yl)acetonitrile

CAS No.:
20893-30-5
Catalog Number:
AG002JYR
Molecular Formula:
C6H5NS
Molecular Weight:
123.1756
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Purity
Availability
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Quantity
  
25g
95%
In Stock USA
United States
$25
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Product Description
Catalog Number:
AG002JYR
Chemical Name:
2-(Thiophen-2-yl)acetonitrile
CAS Number:
20893-30-5
Molecular Formula:
C6H5NS
Molecular Weight:
123.1756
MDL Number:
MFCD00005453
IUPAC Name:
2-thiophen-2-ylacetonitrile
InChI:
InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2
InChI Key:
CLSHQIDDCJTHAJ-UHFFFAOYSA-N
SMILES:
N#CCc1cccs1
EC Number:
244-104-6
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.014g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.173g/mol
Monoisotopic Mass:
123.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Purification and characterization of a nitrilase from Aspergillus niger K10. Applied microbiology and biotechnology 20061201
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Properties