Home Nitriles 5-Acetylthiophene-2-carbonitrile

5-Acetylthiophene-2-carbonitrile

CAS No.:
88653-55-8
Catalog Number:
AG003GB1
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$139
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Product Description
Catalog Number:
AG003GB1
Chemical Name:
5-Acetylthiophene-2-carbonitrile
CAS Number:
88653-55-8
Molecular Formula:
C7H5NOS
Molecular Weight:
151.1857
MDL Number:
MFCD00052314
IUPAC Name:
5-acetylthiophene-2-carbonitrile
InChI:
InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChI Key:
VSHPLUBHIUFLES-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(s1)C(=O)C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.009g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.183g/mol
Monoisotopic Mass:
151.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase. Journal of medicinal chemistry 20110113
Properties