Home Other Building Blocks 1006495-98-2
1006495-98-2,MFCD06805459
Catalog No.:AA019D30
1006495-98-2 | 1-Isopropyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
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1g
95%
3 weeks  
$1,859.00   $1,302.00
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Technical Information
Catalog Number:
AA019D30
Chemical Name:
1-Isopropyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1006495-98-2
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
MDL Number:
MFCD06805459
IUPAC Name:
5-methyl-1-propan-2-ylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C7H11ClN2O2S/c1-5(2)10-6(3)7(4-9-10)13(8,11)12/h4-5H,1-3H3
InChI Key:
YFLLOAAKOQLXAO-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1C)S(=O)(=O)Cl)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
 
1006495-98-2 
1-ISOPROPYL-5-METHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE 
MCULE-9189607651 
chloro[5-methyl-1-(methylethyl)pyrazol-4-yl]sulfone 
F2169-0657 
5-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride 
1-isopropyl-5-methyl-pyrazole-4-sulfonyl chloride 
CTK6A9803 
MFCD06805459 
SBB022977 
STK347034 
AKOS000309438 
ZINC100777568 
Literature
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