Home Sulfos 5-methyl-1H-pyrazole-4-sulfonyl chloride

5-methyl-1H-pyrazole-4-sulfonyl chloride

CAS No.:
1179918-36-5
Catalog Number:
AG018RVD
Molecular Formula:
C4H5ClN2O2S
Molecular Weight:
180.6127
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Product Description
Catalog Number:
AG018RVD
Chemical Name:
5-methyl-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1179918-36-5
Molecular Formula:
C4H5ClN2O2S
Molecular Weight:
180.6127
MDL Number:
MFCD17167103
IUPAC Name:
5-methyl-1H-pyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H5ClN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChI Key:
HAIPHBVEKLIHCB-UHFFFAOYSA-N
SMILES:
Cc1[nH]ncc1S(=O)(=O)Cl
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.976g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.606g/mol
Monoisotopic Mass:
179.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties