Home Sulfos 2-(4-aminobenzenesulfonyl)acetonitrile

2-(4-aminobenzenesulfonyl)acetonitrile

CAS No.:
797036-00-1
Catalog Number:
AG01BD44
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BD44
Chemical Name:
2-(4-aminobenzenesulfonyl)acetonitrile
CAS Number:
797036-00-1
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD14643847
IUPAC Name:
2-(4-aminophenyl)sulfonylacetonitrile
InChI:
InChI=1S/C8H8N2O2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,6,10H2
InChI Key:
CRBXIHDJWSZJIB-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1ccc(cc1)N
Properties
Complexity:
301  
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:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties