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113760-29-5,MFCD22581249
Catalog No.:AA0009IM

113760-29-5 | 1,3-Benzoxathiol-4(5H)-one, 6,7-dihydro-6,6-dimethyl-2-(phenylimino)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥95%
in stock  
$693.00   $485.00
- +
25mg
≥95%
in stock  
$2,913.00   $2,039.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0009IM
Chemical Name:
1,3-Benzoxathiol-4(5H)-one, 6,7-dihydro-6,6-dimethyl-2-(phenylimino)-
CAS Number:
113760-29-5
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
MDL Number:
MFCD22581249
SMILES:
O=C1CC(C)(C)Cc2c1sc(=Nc1ccccc1)o2
Properties
Computed Properties
 
Complexity:
459  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
3.8  

Literature

Title: Study on anti-proliferative effect of benzoxathiole derivatives through inactivation of NF-κB in human cancer cells.

Journal: Bioorganic & medicinal chemistry letters 20120715

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Tags:113760-29-5 Molecular Formula|113760-29-5 MDL|113760-29-5 SMILES|113760-29-5 1,3-Benzoxathiol-4(5H)-one, 6,7-dihydro-6,6-dimethyl-2-(phenylimino)-