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CS-W001157 4
Total: USD 88.00

5-(Trifluoromethyl)pyridine-2(1H)-thione

  • CAS No. 76041-72-0

  • Cat. No. CS-W017281
  • Purity≥97%
  • MDL No.MFCD00128893

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

5-(Trifluoromethyl)pyridine-2(1H)-thione|CS-W017281

Structure of 76041-72-0

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General Information

  • CAS No. 76041-72-0
  • Cat. No. CS-W017281
  • Purity ≥97%
  • MDL No. MFCD00128893
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄F₃NS
  • Molecular Weight 179.16
  • Synonym(s) 5-(Trifluoromethyl)-2-pyridinethiol
  • SMILES S=C1C=CC(C(F)(F)F)=CN1

Description

5-(Trifluoromethyl)pyridine-2(1H)-thione features a trifluoromethyl group flanking a pyridine-thione core, delivering enhanced electron-withdrawing character and improved stability under standard handling conditions. This configuration enables efficient integration into heterocyclic scaffolds for medicinal chemistry applications.

Synthesis

  • Route1

    References

    • DAIICHI PHARMACEUTICAL CO., LTD. Patent: WO2006/109729 A1, 2006 ; Location in patent: Page/Page column 87 ;
  • Route2

    References

    • Heterocycles, , vol. 22, # 1 p. 117 - 124

Safety Information

Download SDS
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-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   2.76299
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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