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Tosyl cyanide

CAS No.:
19158-51-1
Catalog Number:
AG002FCH
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$57
- +
5g
97%
In Stock USA
United States
$175
- +
10g
97%
In Stock USA
United States
$300
- +
25g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002FCH
Chemical Name:
Tosyl cyanide
CAS Number:
19158-51-1
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD00009977
IUPAC Name:
(4-methylphenyl)sulfonylformonitrile
InChI:
InChI=1S/C8H7NO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,1H3
InChI Key:
JONIMGVUGJVFQD-UHFFFAOYSA-N
SMILES:
N#CS(=O)(=O)c1ccc(cc1)C
EC Number:
242-849-1
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Photochemically induced radical transformation of C(sp3)-H bonds to C(sp3)-CN bonds. Organic letters 20111104
Click azide-nitrile cycloaddition as a new ligation tool for the synthesis of tetrazole-tethered C-glycosyl alpha-amino acids. The Journal of organic chemistry 20081219
Mild cobalt-catalyzed hydrocyanation of olefins with tosyl cyanide. Angewandte Chemie (International ed. in English) 20070101
Synthesis of 3-substituted bicyclic imidazo[1,2-d][1,2,4]thiadiazoles and tricyclic benzo[4,5]imidazo[1,2-d][1,2,4]thiadiazoles. The Journal of organic chemistry 20050805
2-azabicyclo[2.2.2]octa-3,5-dione via a nitrile Diels-Alder reaction. The Journal of organic chemistry 20031017
Properties