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89501-93-9,MFCD03944999
Catalog No.:AA0087O2
89501-93-9 | 1,3-Dimethyl-1H-pyrazole-4-sulfonyl chloride
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1g
95%
in stock  
$223.00   $156.00
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5g
98%
in stock  
$317.00   $222.00
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Technical Information
Catalog Number:
AA0087O2
Chemical Name:
1,3-Dimethyl-1H-pyrazole-4-sulfonyl chloride
CAS Number:
89501-93-9
Molecular Formula:
C5H7ClN2O2S
Molecular Weight:
194.6393
MDL Number:
MFCD03944999
IUPAC Name:
1,3-dimethylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3
InChI Key:
AFFSTQSBJFQGPY-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)S(=O)(=O)Cl)C
Properties
Computed Properties
 
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.992g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.633g/mol
Monoisotopic Mass:
193.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride 
89501-93-9 
DTXSID30405049 
AFFSTQSBJFQGPY-UHFFFAOYSA-N 
ALBB-000992 
2343AF 
BBL016240 
MFCD03944999 
SBB009408 
STK349432 
ZINC59681420 
AKOS000302347 
1,3-dimethylpyrazole-4-sulfonyl chloride 
FS-4993 
MCULE-4406375429 
(1,3-dimethylpyrazol-4-yl)chlorosulfone 
TR-028107 
FT-0677817 
Y-1004 
I14-27125 
C5H7ClN2O2S 
CID4635707 
1H-Pyrazole-4-sulfonylchloride, 1,3-dimethyl- 
ZERO/005265 
ACMC-20dsgy 
1H-Pyrazole-4-sulfonylchloride,1,3-dimethyl- 
AC1NE2W5 
SCHEMBL2003409 
CTK3E6911 
Literature
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