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112811-90-2,MFCD00661380
Catalog No.:AA003HVB

112811-90-2 | 2-(Benzylthio)nicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$7.00   $5.00
- +
1g
98%
in stock  
$16.00   $11.00
- +
5g
98%
in stock  
$70.00   $49.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HVB
Chemical Name:
2-(Benzylthio)nicotinic acid
CAS Number:
112811-90-2
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD00661380
SMILES:
OC(=O)c1cccnc1SCc1ccccc1
Properties
Properties
 
BP:
431.1°C at 760 mmHg  
Form:
Solid  
MP:
188-190 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.7  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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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SDS
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