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163725-12-0,MFCD00075348
Catalog No.:AA001U9W

163725-12-0 | 2-[(2-Cyanophenyl)thio]benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$65.00   $45.00
- +
1g
97%
in stock  
$122.00   $85.00
- +
5g
97%
in stock  
$436.00   $305.00
- +
10g
97%
in stock  
$843.00   $590.00
- +
25g
97%
in stock  
$1,891.00   $1,324.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001U9W
Chemical Name:
2-[(2-Cyanophenyl)thio]benzoic acid
CAS Number:
163725-12-0
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
MDL Number:
MFCD00075348
SMILES:
N#Cc1ccccc1Sc1ccccc1C(=O)O
Properties
Properties
 
BP:
423.7±30.0 °C(Predicted)  
Form:
Solid  
MP:
210-215 °C(lit.)  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
349  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:XENONPHARMACEUTICALSINC-US2008/234384,2008,A1

Literature
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Additional Info:
SDS
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Tags:163725-12-0 Molecular Formula|163725-12-0 MDL|163725-12-0 SMILES|163725-12-0 2-[(2-Cyanophenyl)thio]benzoic acid