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51218-98-5,MFCD27924681
Catalog No.:AA00I93D

51218-98-5 | 2-Isopropoxyethyl 4-methylbenzenesulfonate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$226.00   $158.00
- +
5g
98%
in stock  
$774.00 $542.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I93D
Chemical Name:
2-Isopropoxyethyl 4-methylbenzenesulfonate
CAS Number:
51218-98-5
Molecular Formula:
C12H18O4S
Molecular Weight:
258.3339
MDL Number:
MFCD27924681
SMILES:
CC(OCCOS(=O)(=O)c1ccc(cc1)C)C
Properties
Computed Properties
 
Complexity:
297  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2005,vol.48,p.2892-2905

Literature
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SDS
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Tags:51218-98-5 Molecular Formula|51218-98-5 MDL|51218-98-5 SMILES|51218-98-5 2-Isopropoxyethyl 4-methylbenzenesulfonate
Catalog No.: AA00I93D
51218-98-5,MFCD27924681
51218-98-5 | 2-Isopropoxyethyl 4-methylbenzenesulfonate
Pack Size： 1g
Purity： 98%
in stock
$226.00 $158.00
Pack Size： 5g
Purity： 98%
in stock
$774.00 $542.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I93D
Chemical Name: 2-Isopropoxyethyl 4-methylbenzenesulfonate
CAS Number: 51218-98-5
Molecular Formula: C12H18O4S
Molecular Weight: 258.3339
MDL Number: MFCD27924681
SMILES: CC(OCCOS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity: 297  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
700-49-2    51218-98-5    852030-70-7 

[1]JournalofMedicinalChemistry,2005,vol.48,p.2892-2905

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