Home Amines 50790-30-2
50790-30-2,MFCD00116199
Catalog No.:AA003I5Q
50790-30-2 | 3-(Methanesulfonylamino)benzonitrile
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Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$86.00   $60.00
- +
5g
98%
in stock  
$222.00   $155.00
- +
25g
98%
in stock  
$985.00   $689.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003I5Q
Chemical Name:
3-(Methanesulfonylamino)benzonitrile
CAS Number:
50790-30-2
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD00116199
IUPAC Name:
N-(3-cyanophenyl)methanesulfonamide
InChI:
InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,1H3
InChI Key:
CNTYWEJSOJXQKO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NS(=O)(=O)C
Properties
Computed Properties
 
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
50790-30-2 
3-(METHANESULFONYLAMINO)BENZONITRILE 
CNTYWEJSOJXQKO-UHFFFAOYSA-N 
ZINC2161142 
5716AJ 
MFCD00116199 
AKOS000199865 
N-(3-cyano-phenyl)-methanesulfonamide 
ACN-049261 
MCULE-8014207901 
TRA0085974 
AJ-33717 
N-(3-cyanophenyl)methanesulfonamide 
AS-31534 
CJ-07816 
SY003543 
DB-071255 
TC-307272 
3-[(methylsulfonyl)amino]benzenecarbonitrile 
FT-0705747 
ST51029940 
EN300-26706 
K-9380 
Methanesulfonamide, N-(3-cyanophenyl)- 
AB00037678-01 
MFCD00116199 (97+%) 
I01-10012 
C8H8N2O2S 
CID3696153 
55676-21-6 
AC1Q4GPH 
AC1MW9W5 
SCHEMBL1291527 
CTK1G8895 
KS-00000EDX 
DTXSID30395173 
Literature
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