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3-(1-Methyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate

  • CAS No. 148019-49-2

  • Cat. No. CS-0699016
  • Molecule weight204.25
  • Purity≥98%
  • MDL No.None

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

3-(1-Methyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate|CS-0699016

Structure of 148019-49-2

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General Information

  • CAS No. 148019-49-2
  • Cat. No. CS-0699016
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂N₂O₃S
  • Molecular Weight 204.25
  • Synonym(s) None
  • SMILES CN1C=C[N+](CCCS([O-])(=O)=O)=C1

Description

This sulfonate salt features a methyl-imidazolium cation paired with a propane-sulfonate anion, delivering enhanced solubility and stability in aqueous and polar organic media. The imidazolium moiety provides strong electrostatic character, while the sulfonate group ensures high hydrophilicity and resistance to oxidation. This combination enables efficient use in catalytic systems, ion-exchange applications, and as a stabilizing agent in complex reaction environments.

Application

3-(1-Methyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate serves as a stable, water-soluble ionic building block enabling efficient functionalization in aqueous and mixed solvent systems. Its imidazolium moiety facilitates nucleophilic substitution and acts as a versatile scaffold for cationic reagents, while the sulfonate group enhances solubility and simplifies purification. The compound functions reliably in standard synthetic workflows requiring charged intermediates.

Safety Information

Download SDS
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   66.01
  • LogP   -0.7521
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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