Home Sulfos 1H-Benzotriazole-5-sulfonamide(9CI)

1H-Benzotriazole-5-sulfonamide(9CI)

CAS No.:
491612-08-9
Catalog Number:
AG00DWHN
Molecular Formula:
C6H6N4O2S
Molecular Weight:
198.2024
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Product Description
Catalog Number:
AG00DWHN
Chemical Name:
1H-Benzotriazole-5-sulfonamide(9CI)
CAS Number:
491612-08-9
Molecular Formula:
C6H6N4O2S
Molecular Weight:
198.2024
MDL Number:
MFCD18807984
IUPAC Name:
2H-benzotriazole-5-sulfonamide
InChI:
InChI=1S/C6H6N4O2S/c7-13(11,12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H2,7,11,12)(H,8,9,10)
InChI Key:
ZGWAHFRQHSRGJU-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc2c(c1)nn[nH]2
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
198.2g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties