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N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]thiourea

  • CAS No. 949480-57-3

  • Cat. No. CS-0040246
  • Purity≥97%
  • MDL No.None

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

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]thiourea|CS-0040246

Structure of 949480-57-3

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General Information

  • CAS No. 949480-57-3
  • Cat. No. CS-0040246
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₄F₆N₂OS
  • Molecular Weight 420.37
  • Synonym(s) N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea
  • SMILES S=C(N[C@@H]1[C@H](O)CC2=C1C=CC=C2)NC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3

Synthesis

  • Route1
    • null|null
      23165-29-9
    • rel-(1R,2S)-1-Amino-2,3-dihydro-1H-inden-2-ol|CS-0147143
      7480-35-5
    • ~%
    • N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]thiourea|CS-0040246
      949480-57-3

    References

    • Alcaine, Ana; Marques-Lopez, Eugenia; Merino, Pedro; Tejero, Tomas; Herrera, Raquel P. Organic and Biomolecular Chemistry, 2011 , vol. 9, # 8 p. 2777 - 2783

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H413
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   44.29
  • LogP   4.6689
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   2

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