Home Sulfos 3-(methanesulfonylmethyl)-1H-pyrazole

3-(methanesulfonylmethyl)-1H-pyrazole

CAS No.:
1956365-20-0
Catalog Number:
AG01EIMI
Molecular Formula:
C5H8N2O2S
Molecular Weight:
160.1942
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Product Description
Catalog Number:
AG01EIMI
Chemical Name:
3-(methanesulfonylmethyl)-1H-pyrazole
CAS Number:
1956365-20-0
Molecular Formula:
C5H8N2O2S
Molecular Weight:
160.1942
MDL Number:
MFCD30663045
IUPAC Name:
5-(methylsulfonylmethyl)-1H-pyrazole
InChI:
InChI=1S/C5H8N2O2S/c1-10(8,9)4-5-2-3-6-7-5/h2-3H,4H2,1H3,(H,6,7)
InChI Key:
UMAOEOPCSCXTLY-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Cc1cc[nH]n1
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.031g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.191g/mol
Monoisotopic Mass:
160.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties