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CS-W001157 4
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7-(Trifluoromethyl)quinoline-4-thiol

  • CAS No. 64415-07-2

  • Cat. No. CS-0063833
  • Molecule weight229.22
  • Purity≥97%
  • MDL No.MFCD00006780

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

7-(Trifluoromethyl)quinoline-4-thiol|CS-0063833

Structure of 64415-07-2

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General Information

  • CAS No. 64415-07-2
  • Cat. No. CS-0063833
  • Purity ≥97%
  • MDL No. MFCD00006780
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆F₃NS
  • Molecular Weight 229.22
  • Synonym(s) 7-(trifluoromethyl)quinoline-4(1H)-thione
  • SMILES SC1=CC=NC2=CC(C(F)(F)F)=CC=C12

Description

7-(Trifluoromethyl)quinoline-4-thiol features a trifluoromethyl group at the 7-position and a thiol functionality at the 4-position of the quinoline scaffold. This electron-deficient heterocycle enables direct conjugation in bioorthogonal labeling, metal coordination, or polymer anchoring applications under standard conditions.

Application

7-(Trifluoromethyl)quinoline-4-thiol serves as a versatile building block for heterocyclic synthesis, enabling efficient construction of quinoline-based scaffolds via C–S and C–C coupling reactions. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the thiol functionality offers reliable conjugation potential and orthogonal reactivity in multi-step sequences. Bench-stable and amenable to purification by chromatography or recrystallization, it functions effectively in both small-molecule drug discovery and materials chemistry applications.

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

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   3.5423
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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