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2-Fluoro-6-sulfanylbenzonitrile

  • CAS No. 138249-39-5

  • Cat. No. CS-0233811
  • Molecule weight153.18
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-Fluoro-6-sulfanylbenzonitrile|CS-0233811

Structure of 138249-39-5

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General Information

  • CAS No. 138249-39-5
  • Cat. No. CS-0233811
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNS
  • Molecular Weight 153.18
  • Synonym(s) Benzonitrile, 2-fluoro-6-mercapto- (9CI)
  • SMILES N#CC1=C(S)C=CC=C1F

Synthesis

  • Route1

    References

    • Joensson, Stig; Andersson, Gunnar; Fex, Tomas; Fristedt, Tomas; Hedlund, Gunnar; Jansson, Karl; Abramo, Lisbeth; Fritzson, Ingela; Pekarski, Olga; Runstroem, Anna; Sandin, Helena; Thuvesson, Ingela; Bjoerk, Anders Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2075 - 2088

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.98608
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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