Home Sulfos 1H-Pyrazole-5-sulfonamide,4-cyano-1-methyl-(9CI)

1H-Pyrazole-5-sulfonamide,4-cyano-1-methyl-(9CI)

CAS No.:
111493-51-7
Catalog Number:
AG009PWJ
Molecular Formula:
C5H6N4O2S
Molecular Weight:
186.1917
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Product Description
Catalog Number:
AG009PWJ
Chemical Name:
1H-Pyrazole-5-sulfonamide,4-cyano-1-methyl-(9CI)
CAS Number:
111493-51-7
Molecular Formula:
C5H6N4O2S
Molecular Weight:
186.1917
MDL Number:
MFCD18809745
IUPAC Name:
4-cyano-2-methylpyrazole-3-sulfonamide
InChI:
InChI=1S/C5H6N4O2S/c1-9-5(12(7,10)11)4(2-6)3-8-9/h3H,1H3,(H2,7,10,11)
InChI Key:
JGZOHDBQDBMFHM-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1S(=O)(=O)N)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.021g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.189g/mol
Monoisotopic Mass:
186.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties