Home Other Building Blocks 1006453-71-9
1006453-71-9,MFCD06805443
Catalog No.:AA0002H1
1006453-71-9 | 1-Isopropyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95.0%
3 weeks  
$971.00   $680.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002H1
Chemical Name:
1-Isopropyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1006453-71-9
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
MDL Number:
MFCD06805443
IUPAC Name:
3-methyl-1-propan-2-ylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C7H11ClN2O2S/c1-5(2)10-4-7(6(3)9-10)13(8,11)12/h4-5H,1-3H3
InChI Key:
OEMNIZAEFGZSJQ-UHFFFAOYSA-N
SMILES:
Cc1nn(cc1S(=O)(=O)Cl)C(C)C
Properties
Computed Properties
 
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.023g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.687g/mol
Monoisotopic Mass:
222.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1006453-71-9 
1-Isopropyl-3-methyl-1H-pyrazole-4-sulfonyl chloride 
SBB018179 
STK350163 
ZINC59681488 
AKOS000302140 
MCULE-4411129002 
RTR-033778 
TR-033778 
FT-0678036 
ST50341973 
Z-0361 
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride 
1-isopropyl-3-methylpyrazole-4-sulfonyl chloride 
I14-26778 
F2169-0661 
Z1962166121 
1H-Pyrazole-4-sulfonyl chloride, 3-methyl-1-(1-methylethyl)- 
C7H11ClN2O2S 
chloro[3-methyl-1-(methylethyl)pyrazol-4-yl]sulfone 
SCHEMBL14816146 
CTK3J9153 
DTXSID30599119 
7225AC 
BBL016270 
MFCD06805443 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A