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1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(dimethylamino)cyclohexyl)thiourea

  • CAS No. 620960-26-1

  • Cat. No. CS-0093326
  • Purity≥97%
  • MDL No.MFCD09834839

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

1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1R,2R)-2-(dimethylamino)cyclohexyl)thiourea|CS-0093326

Structure of 620960-26-1

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General Information

  • CAS No. 620960-26-1
  • Cat. No. CS-0093326
  • Purity ≥97%
  • MDL No. MFCD09834839
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₁F₆N₃S
  • Molecular Weight 413.42
  • Synonym(s) 1-[3,5-Bis(trifluoroMethyl)phenyl]-3-[(1R,2R)-2-(diMethylaMino)cyclohexyl]thiourea
  • SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@H]2[C@@H](CCCC2)N(C)C

Description

This thiourea derivative features a sterically hindered cyclohexyl amine moiety paired with a strongly electron-deficient aryl group, enabling robust hydrogen-bonding interactions. The trifluoromethyl substituents enhance lipophilicity and metabolic stability, while the dimethylamino group improves solubility and facilitates derivatization. This combination delivers a bench-stable, moisture-tolerant reagent ideal for supramolecular synthesis and ligand design.

Application

This thiourea derivative serves as a versatile building block in medicinal chemistry, leveraging the electron-withdrawing trifluoromethyl groups to enhance metabolic stability and modulate lipophilicity. The cyclohexylamine scaffold provides a rigid, chiral framework ideal for structure-activity studies. Its thiourea moiety enables hydrogen bonding interactions and facilitates formation of metal complexes or covalent adducts. Bench-stable and amenable to standard purification methods, it functions effectively in multistep synthesis and high-throughput screening workflows.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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Computational Chemistry Data

  • TPSA   27.3
  • LogP   4.8834
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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