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Home Sulfos p-Toluenesulfonylacetonitrile

p-Toluenesulfonylacetonitrile

CAS No.:
5697-44-9
Catalog Number:
AG003K95
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>99.0%(GC)
1 week
United States
$112
- +
25g
>99.0%(GC)
1 week
United States
$267
- +
Product Description
Catalog Number:
AG003K95
Chemical Name:
p-Toluenesulfonylacetonitrile
CAS Number:
5697-44-9
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD00039487
IUPAC Name:
2-(4-methylphenyl)sulfonylacetonitrile
InChI:
InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
InChI Key:
BBNNLJMGPASZPD-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1ccc(cc1)C
EC Number:
227-173-7
NSC Number:
125922
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and antiinflammatory activity of 1,5-diarylimidazoles. Archives of pharmacal research 20050901
Properties