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CS-W001157 4
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N-((4-(trifluoromethyl)phenyl)carbamothioyl)benzamide

  • CAS No. 117174-71-7

  • Cat. No. CS-0314314
  • Purity≥97%
  • MDL No.None

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

N-((4-(trifluoromethyl)phenyl)carbamothioyl)benzamide|CS-0314314

Structure of 117174-71-7

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General Information

  • CAS No. 117174-71-7
  • Cat. No. CS-0314314
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁F₃N₂OS
  • Molecular Weight 324.32
  • Synonym(s) 1-Benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea, 4-[(Benzoylcarbamothioyl)amino]benzotrifluoride
  • SMILES S=C(NC1=CC=C(C(F)(F)F)C=C1)NC(C2=CC=CC=C2)=O

Synthesis

  • Route1

    References

    • Rasmussen, C. R.; Villani, F. J.; Weaner, L. E.; Reynolds, B. E.; Hood, A. R.; et al. Synthesis, 1988 , # 6 p. 456 - 459
  • Route2

    References

    • Rauf, Muhammad Khawar; Talib, Ammara; Badshah, Amin; Zaib, Sumera; Shoaib, Khurram; Shahid, Mohammad; Floerke, Ulrich; Imtiaz-Ud-Din; Iqbal, Jamshed European Journal of Medicinal Chemistry, 2013 , vol. 70, p. 487 - 496
  • Route3
    • null|null
      98-88-4
    • ~%
    • N-((4-(trifluoromethyl)phenyl)carbamothioyl)benzamide|CS-0314314
      117174-71-7

    References

    • Rauf, Muhammad Khawar; Talib, Ammara; Badshah, Amin; Zaib, Sumera; Shoaib, Khurram; Shahid, Mohammad; Floerke, Ulrich; Imtiaz-Ud-Din; Iqbal, Jamshed European Journal of Medicinal Chemistry, 2013 , vol. 70, p. 487 - 496

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   41.13
  • LogP   3.8322
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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