Cas no 2228711-01-9 (tert-butyl 4-(2-sulfanylethyl)-1H-imidazole-1-carboxylate)

Tert-butyl 4-(2-sulfanylethyl)-1H-imidazole-1-carboxylate is a protected imidazole derivative featuring a tert-butyloxycarbonyl (Boc) group and a sulfanylethyl side chain. The Boc group enhances stability, facilitating handling and storage, while the sulfanylethyl moiety provides reactivity for further functionalization, such as thiol-ene click chemistry or metal coordination. This compound is valuable in organic synthesis, particularly in the preparation of heterocyclic scaffolds and peptide mimetics. Its structural features make it suitable for applications in medicinal chemistry and materials science, where controlled reactivity and selective deprotection are required. The product is typically handled under inert conditions to preserve the thiol functionality.
tert-butyl 4-(2-sulfanylethyl)-1H-imidazole-1-carboxylate structure
2228711-01-9 structure
Product Name:tert-butyl 4-(2-sulfanylethyl)-1H-imidazole-1-carboxylate
CAS No:2228711-01-9
MF:C10H16N2O2S
MW:228.311241149902
CID:5902451
PubChem ID:165663876
Update Time:2025-11-02

tert-butyl 4-(2-sulfanylethyl)-1H-imidazole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 4-(2-sulfanylethyl)-1H-imidazole-1-carboxylate
    • EN300-1895371
    • 2228711-01-9
    • Inchi: 1S/C10H16N2O2S/c1-10(2,3)14-9(13)12-6-8(4-5-15)11-7-12/h6-7,15H,4-5H2,1-3H3
    • InChI Key: TWOKWOYIROKWCV-UHFFFAOYSA-N
    • SMILES: SCCC1=CN(C=N1)C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 228.09324893g/mol
  • Monoisotopic Mass: 228.09324893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 228
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 45.1?2

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1895371-1g
tert-butyl 4-(2-sulfanylethyl)-1H-imidazole-1-carboxylate
2228711-01-9
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$1442.0 2023-09-18
Enamine
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Enamine
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Enamine
EN300-1895371-1.0g
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Enamine
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tert-butyl 4-(2-sulfanylethyl)-1H-imidazole-1-carboxylate
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