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55305-43-6 | N-Cyano-N-phenyl-p-toluenesulfonaMide
CAS No: 55305-43-6 Catalog No: AG00DKFX MDL No:MFCD00159358
Product Description
Catalog Number:
AG00DKFX
Chemical Name:
N-Cyano-N-phenyl-p-toluenesulfonaMide
CAS Number:
55305-43-6
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
MDL Number:
MFCD00159358
IUPAC Name:
N-cyano-4-methyl-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C14H12N2O2S/c1-12-7-9-14(10-8-12)19(17,18)16(11-15)13-5-3-2-4-6-13/h2-10H,1H3
InChI Key:
CIIFNSIDKZSDBR-UHFFFAOYSA-N
SMILES:
N#CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Lewis acid catalyzed direct cyanation of indoles and pyrroles with N-cyano-N-phenyl-p-toluenesulfonamide (NCTS). | Organic letters 20111021 |
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