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88398-47-4

88398-47-4 | 1H-Pyrazole-4-sulfonamide, 1,3-dimethyl-5-(propylthio)-

CAS No: 88398-47-4 Catalog No: AG004LH9 MDL No:

Product Description

Catalog Number:
AG004LH9
Chemical Name:
1H-Pyrazole-4-sulfonamide, 1,3-dimethyl-5-(propylthio)-
CAS Number:
88398-47-4
Molecular Formula:
C8H15N3O2S2
Molecular Weight:
249.3536
IUPAC Name:
1,3-dimethyl-5-propylsulfanylpyrazole-4-sulfonamide
InChI:
InChI=1S/C8H15N3O2S2/c1-4-5-14-8-7(15(9,12)13)6(2)10-11(8)3/h4-5H2,1-3H3,(H2,9,12,13)
InChI Key:
LWXPUBYIILBQFY-UHFFFAOYSA-N
SMILES:
CCCSc1n(C)nc(c1S(=O)(=O)N)C

Properties

Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.347g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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