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496775-95-2,MFCD03621206
Catalog No.:AA00DD30

496775-95-2 | 2-[(2-phenylethyl)thio]nicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$53.00   $37.00
- +
1g
95%
in stock  
$81.00   $57.00
- +
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Technical Information
Catalog Number:
AA00DD30
Chemical Name:
2-[(2-phenylethyl)thio]nicotinic acid
CAS Number:
496775-95-2
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
MDL Number:
MFCD03621206
SMILES:
OC(=O)c1cccnc1SCCc1ccccc1
Properties
Computed Properties
 
Complexity:
267  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
3.2  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:496775-95-2 Molecular Formula|496775-95-2 MDL|496775-95-2 SMILES|496775-95-2 2-[(2-phenylethyl)thio]nicotinic acid