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116492-97-8,MFCD00174303
Catalog No.:AA000CJX

116492-97-8 | 3,3-Bis(methylthio)-2-(3-(trifluoromethyl)benzoyl)acrylonitrile

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250mg
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$150.00   $105.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000CJX
Chemical Name:
3,3-Bis(methylthio)-2-(3-(trifluoromethyl)benzoyl)acrylonitrile
CAS Number:
116492-97-8
Molecular Formula:
C13H10F3NOS2
Molecular Weight:
317.3498
MDL Number:
MFCD00174303
SMILES:
N#CC(=C(SC)SC)C(=O)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
444  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Rotatable Bond Count:
4  
XLogP3:
3.9  

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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Tags:116492-97-8 Molecular Formula|116492-97-8 MDL|116492-97-8 SMILES|116492-97-8 3,3-Bis(methylthio)-2-(3-(trifluoromethyl)benzoyl)acrylonitrile