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N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]thiourea

  • CAS No. 834917-24-7

  • Cat. No. CS-0091860
  • Purity≥95%
  • MDL No.None

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

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]thiourea|CS-0091860

Structure of 834917-24-7

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General Information

  • CAS No. 834917-24-7
  • Cat. No. CS-0091860
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₅H₂₃F₆N₃S
  • Molecular Weight 511.53
  • Synonym(s) 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(dimethylamino)-1,2-diphenylethyl)thiourea
  • SMILES S=C(N[C@@H]([C@H](N(C)C)C1=CC=CC=C1)C2=CC=CC=C2)NC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3

Description

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]thiourea features a sterically hindered thiourea core flanked by electron-deficient aryl and bulky chiral diphenylalkyl moieties. This configuration enables precise molecular recognition in supramolecular systems, delivering enhanced binding affinity and selectivity under standard conditions.

Application

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]thiourea serves as a versatile scaffold in medicinal chemistry, enabling efficient access to bioactive heterocycles through standard coupling and cyclization protocols. Its trifluoromethylated aryl moiety enhances metabolic stability and lipophilicity, while the chiral diphenylethyl amine framework supports stereocontrolled synthesis. The thiourea functionality offers strong hydrogen-bonding capacity and facilitates purification via crystallization or chromatography, making it well-suited for high-throughput screening campaigns and lead optimization workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   27.3
  • LogP   7.0548
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   6

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