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CS-W001157 4
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(S)-N-Benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide

  • CAS No. 959979-30-7

  • Cat. No. CS-B0761
  • Molecule weight505.52
  • Purity≥97%
  • MDL No.MFCD10567031

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

(S)-N-Benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide|CS-B0761

Structure of 959979-30-7

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General Information

  • CAS No. 959979-30-7
  • Cat. No. CS-B0761
  • Purity ≥97%
  • MDL No. MFCD10567031
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₅F₆N₃OS
  • Molecular Weight 505.52
  • Synonym(s) (S)-2-[[3,5-Bis(trifluoromethyl)phenyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide
  • SMILES CC(C)(C)[C@H](NC(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=S)C(N(C)CC2=CC=CC=C2)=O

Synthesis

  • Route1
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      1032509-62-8
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      23165-29-9
    • ~%
    • In-stock
      (S)-N-Benzyl-2-(3-(3,5-bis(trifluoromethyl)phenyl)thioureido)-N,3,3-trimethylbutanamide|CS-B0761
      959979-30-7

    References

    • Reisman, Sarah E.; Doyle, Abigail G.; Jacobsen, Eric N. Journal of the American Chemical Society, 2008 , vol. 130, # 23 p. 7198 - 7199

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312-H315-H319-H335-H413
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.37
  • LogP   6.0839
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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