306935-92-2,MFCD02180672
Catalog No.:AA0030TB

306935-92-2 | 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

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Purity
Availability
Price(USD)
Quantity
  
250mg
in stock  
$104.00   $73.00
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  • Technical Information
  • Properties
  • Literature
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  • Download SDS
Technical Information
Catalog Number:
AA0030TB
Chemical Name:
2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Number:
306935-92-2
Molecular Formula:
C11H9F3N2S
Molecular Weight:
258.2628
MDL Number:
MFCD02180672
SMILES:
N#Cc1c(=S)[nH]c2c(c1C(F)(F)F)CCCC2
Properties
Computed Properties
 
Complexity:
491  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

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:306935-92-2 Molecular Formula|306935-92-2 MDL|306935-92-2 SMILES|306935-92-2 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Catalog No.: AA0030TB
306935-92-2,MFCD02180672
306935-92-2 | 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Pack Size: 250mg
Purity:
in stock
$104.00 $73.00
Quantity
- +
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Technical Information
Catalog Number: AA0030TB
Chemical Name: 2-Mercapto-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Number: 306935-92-2
Molecular Formula: C11H9F3N2S
Molecular Weight: 258.2628
MDL Number: MFCD02180672
SMILES: N#Cc1c(=S)[nH]c2c(c1C(F)(F)F)CCCC2
Properties
Complexity: 491  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

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