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CS-W001157 4
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2-Mercapto-N,N,N-trimethylethanaminium iodide

  • CAS No. 7161-73-1

  • Cat. No. CS-0528621
  • Purity≥95%
  • MDL No.MFCD00050280

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

2-Mercapto-N,N,N-trimethylethanaminium iodide|CS-0528621

Structure of 7161-73-1

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General Information

  • CAS No. 7161-73-1
  • Cat. No. CS-0528621
  • Purity ≥95%
  • MDL No. MFCD00050280
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₄INS
  • Molecular Weight 247.14
  • Synonym(s) (2-Mercaptoethyl)trimethylammonium iodide
  • SMILES SCC[N+](C)(C)C.[I-]

Application

2-Mercapto-N,N,N-trimethylethanaminium iodide serves as a stable, bench-ready source of thiol functionality, enabling efficient Michael additions and copper-catalyzed coupling reactions. Its quaternary ammonium structure enhances solubility in polar solvents and provides excellent functional group tolerance, facilitating straightforward purification. This reagent functions effectively in the synthesis of thioether-containing building blocks for medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Peng, Lihua; Zhang, Guanxin; Zhang, Deqing; Xiang, Junfeng; Zhao, Rui; Wang, Yilin; Zhu, Daoben Organic Letters, 2009 , vol. 11, # 17 p. 4014 - 4017
  • Route2
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      2-Mercapto-N,N,N-trimethylethanaminium iodide|CS-0528621
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    • null|null
      64-19-7

    References

    • Pastorin, Giorgia; Marchesan, Silvia; Hoebeke, Johan; Da Ros, Tatiana; Ehret-Sabatier, Laurence; Briand, Jean-Paul; Prato, Maurizio; Bianco, Alberto Organic and Biomolecular Chemistry, 2006 , vol. 4, # 13 p. 2556 - 2562
  • Route3
    • 2,2'-Disulfanediylbis(N,N,N-trimethylethan-1-aminium) iodide|CS-0076464
      10498-85-8
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      2-Mercapto-N,N,N-trimethylethanaminium iodide|CS-0528621
      7161-73-1

    References

    • Ekambaram,A. et al. Journal of Organic Chemistry, 1967 , vol. 32, p. 2985 - 2987

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   0
  • LogP   -2.3736
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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