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CS-W001157 4
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2-((Trifluoromethyl)thio)isoindoline-1,3-dione

  • CAS No. 719-98-2

  • Cat. No. CS-0145630
  • Purity≥96%
  • MDL No.MFCD18449627

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

2-((Trifluoromethyl)thio)isoindoline-1,3-dione|CS-0145630

Structure of 719-98-2

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General Information

  • CAS No. 719-98-2
  • Cat. No. CS-0145630
  • Purity ≥96%
  • MDL No. MFCD18449627
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₄F₃NO₂S
  • Molecular Weight 247.19
  • Synonym(s) N-(trifluoromethylthio)phthalimide
  • SMILES O=C(N1SC(F)(F)F)C2=CC=CC=C2C1=O

Description

This trifluoromethylthio-substituted isoindoline-1,3-dione features a strongly electron-deficient core paired with a moisture-tolerant trifluoromethylthio group, enabling robust coupling in transition-metal-catalyzed cross-coupling reactions. The sterically accessible dione scaffold facilitates efficient functionalization under mild conditions.

Application

2-((Trifluoromethyl)thio)isoindoline-1,3-dione serves as a versatile building block in medicinal chemistry, enabling the introduction of a strongly electron-withdrawing trifluoromethylthio group into heterocyclic scaffolds. Its isoindoline-1,3-dione core facilitates conjugation and enhances metabolic stability, while the thiocarbonyl functionality supports nucleophilic transformations. The compound exhibits bench stability and compatibility with standard synthetic protocols, making it suitable for modular synthesis of functionalized pharmaceutical intermediates.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   2.4506
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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