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CS-W001157 4
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N-[(1R,2R)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea

  • CAS No. 860994-58-7

  • Cat. No. CS-0091900
  • Purity≥98%
  • MDL No.None

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

N-[(1R,2R)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea|CS-0091900

Structure of 860994-58-7

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General Information

  • CAS No. 860994-58-7
  • Cat. No. CS-0091900
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₇F₆N₃S
  • Molecular Weight 385.37
  • Synonym(s) N-[(1R,2R)-2-aMinocyclohexyl]-N'-[3,5-bis(trifluoroMethyl)phenyl]-Thiourea
  • SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@H]2[C@H](N)CCCC2

Description

N-[(1R,2R)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea features a chiral cyclohexylamine scaffold paired with a strongly electron-deficient aryl thiourea moiety. This combination enables precise coordination in asymmetric catalysis and metal complexation. The trifluoromethyl groups enhance lipophilicity and metabolic stability, while the primary amine offers a reactive handle for further functionalization.

Application

N-[(1R,2R)-2-Aminocyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea serves as a versatile scaffold for medicinal chemistry campaigns, enabling efficient access to diverse heterocyclic architectures via cyclization and functionalization. The thiourea moiety exhibits strong hydrogen-bonding capacity and enhanced metabolic stability, while the (1R,2R)-aminocyclohexyl group provides defined stereochemistry and conformational rigidity. Bench-stable and compatible with standard purification protocols, it facilitates scalable synthesis in target-oriented and fragment-based drug discovery.

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-H413
Precautionary Statements : P264-P270-P273-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.08
  • LogP   4.2805
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   2

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