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

  • CAS No. 851477-20-8

  • Cat. No. CS-0091865
  • Purity≥97%
  • MDL No.MFCD09834840

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

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)cyclohexyl]thiourea|CS-0091865

Structure of 851477-20-8

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General Information

  • CAS No. 851477-20-8
  • Cat. No. CS-0091865
  • Purity ≥97%
  • MDL No. MFCD09834840
  • 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-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)
  • SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@H]2CCCC[C@@H]2N(C)C

Description

This thiourea features a 3,5-bis(trifluoromethyl)phenyl group paired with a chiral dimethylaminocyclohexyl moiety, delivering enhanced electron-withdrawing character and stereochemical control. The scaffold enables precise molecular recognition in supramolecular systems and offers improved solubility in organic media.

Application

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)cyclohexyl]thiourea serves as a versatile building block for medicinal chemistry campaigns, enabling efficient access to bioactive heterocyclic scaffolds. The thiourea moiety provides strong hydrogen-bonding capability and enhanced solubility, while the sterically defined (1S,2S)-cyclohexyl amine motif supports stereocontrolled derivatization. Bench-stable and compatible with standard coupling protocols, it facilitates rapid library generation in target-oriented synthesis.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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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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