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6-Aminosaccharin

CAS No.:
22094-62-8
Catalog Number:
AG0039KE
Molecular Formula:
C7H6N2O3S
Molecular Weight:
198.1991
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Product Description
Catalog Number:
AG0039KE
Chemical Name:
6-Aminosaccharin
CAS Number:
22094-62-8
Molecular Formula:
C7H6N2O3S
Molecular Weight:
198.1991
MDL Number:
MFCD00115506
IUPAC Name:
6-amino-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10)
InChI Key:
SSRKZHLPNHLAKM-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)S(=O)(=O)NC2=O
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.196g/mol
Monoisotopic Mass:
198.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
New saccharin derivatives as tyrosinase inhibitors. Bioorganic & medicinal chemistry 20120501
Properties