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Home Fluorides 175276-77-4
175276-77-4,MFCD00052515
Catalog No.:AA0077KD

175276-77-4 | 5-[3,5-Bis(trifluoromethyl)phenyl]-2,4-dihydro-3h-1,2,4-triazole-3-thione

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0077KD
Chemical Name:
5-[3,5-Bis(trifluoromethyl)phenyl]-2,4-dihydro-3h-1,2,4-triazole-3-thione
CAS Number:
175276-77-4
Molecular Formula:
C10H5F6N3S
Molecular Weight:
313.2222
MDL Number:
MFCD00052515
SMILES:
FC(c1cc(cc(c1)C(F)(F)F)c1[nH][nH]c(=S)n1)(F)F
Properties
Computed Properties
 
Complexity:
408  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.6  

Downstream Synthesis Route
17119-73-2    175276-77-4   
4-((5-(3,5-bis(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-6-methyl-2-(methylthio)pyrimidine 

[1]ChemMedChem,2016,vol.11,p.43-56

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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SDS
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Tags:175276-77-4 Molecular Formula|175276-77-4 MDL|175276-77-4 SMILES|175276-77-4 5-[3,5-Bis(trifluoromethyl)phenyl]-2,4-dihydro-3h-1,2,4-triazole-3-thione