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82174-09-2,MFCD00236353
Catalog No.:AA004W1D

82174-09-2 | 3-(Trifluoromethylthio)phenylacetonitrile

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004W1D
Chemical Name:
3-(Trifluoromethylthio)phenylacetonitrile
CAS Number:
82174-09-2
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
MDL Number:
MFCD00236353
SMILES:
N#CCc1cccc(c1)SC(F)(F)F
Properties
Computed Properties
 
Complexity:
230  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
3.3  

Downstream Synthesis Route

[1]El-FehailAli;Dandridge;Gleason;etal.[JournalofMedicinalChemistry,1982,vol.25,#8,p.947-952]

Literature
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SDS
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Tags:82174-09-2 Molecular Formula|82174-09-2 MDL|82174-09-2 SMILES|82174-09-2 3-(Trifluoromethylthio)phenylacetonitrile