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CS-W001157 4
Total: USD 88.00

3-Ethyl-1-methyl-1H-imidazol-3-ium thiocyanate

  • CAS No. 331717-63-6

  • Cat. No. CS-W010787
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD06798182

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

3-Ethyl-1-methyl-1H-imidazol-3-ium thiocyanate|CS-W010787

Structure of 331717-63-6

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General Information

  • CAS No. 331717-63-6
  • Cat. No. CS-W010787
  • Purity ≥97%
  • MDL No. MFCD06798182
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁N₃S
  • Molecular Weight None
  • Synonym(s) 1-Ethyl-3-methylimidazolium thiocyanate
  • SMILES CN1C=C[N+](CC)=C1.[S-]C#N

Description

3-Ethyl-1-methyl-1H-imidazol-3-ium thiocyanate is a bench-stable ionic liquid salt featuring a cationic imidazolium core with ethyl and methyl substituents at the 3- and 1-positions, respectively. The thiocyanate anion imparts high solubility in polar solvents and enhances coordination versatility. This combination delivers robust performance in catalytic systems, electrochemical applications, and as a stabilizing medium for reactive intermediates under ambient conditions.

Application

3-Ethyl-1-methyl-1H-imidazol-3-ium thiocyanate serves as a stable, bench-ready imidazolium salt enabling efficient nucleophilic substitution and metal-catalyzed coupling reactions. Its dual functional groups—cationic imidazolium and labile thiocyanate—facilitate straightforward derivatization and purification, making it valuable for constructing heterocyclic scaffolds and catalytic intermediates in synthetic and medicinal chemistry workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   32.6
  • LogP   0.34688
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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