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

  • CAS No. 1233369-41-9

  • Cat. No. CS-0093002
  • Molecule weight511.53
  • Purity≥95%
  • MDL No.None

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

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]thiourea|CS-0093002

Structure of 1233369-41-9

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General Information

  • CAS No. 1233369-41-9
  • Cat. No. CS-0093002
  • 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-((1S,2S)-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'-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]thiourea features a sterically hindered thiourea core flanked by electron-deficient aryl and chiral diphenylethyl moieties. This configuration enables strong hydrogen-bonding interactions and enantioselective recognition in supramolecular systems. The trifluoromethyl groups enhance lipophilicity and metabolic stability, while the (1S,2S)-configured amine imparts defined stereochemistry crucial for asymmetric synthesis applications.

Application

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]thiourea serves as a versatile scaffold in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and cyclization protocols. Its trifluoromethylated aryl group enhances metabolic stability and lipophilicity, while the chiral diphenylethyl moiety provides steric control in asymmetric synthesis. The thiourea functionality offers strong hydrogen-bonding capacity and compatibility with diverse functional groups, facilitating purification and crystallization. This compound exhibits bench stability and is 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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