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CS-W001157 4
Total: USD 88.00

5-Fluorobenzo[d]oxazole-2-thiol

  • CAS No. 13451-78-0

  • Cat. No. CS-W005135
  • Purity≥98%
  • MDL No.MFCD08447021

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

5-Fluorobenzo[d]oxazole-2-thiol|CS-W005135

Structure of 13451-78-0

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General Information

  • CAS No. 13451-78-0
  • Cat. No. CS-W005135
  • Purity ≥98%
  • MDL No. MFCD08447021
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNOS
  • Molecular Weight 169.18
  • Synonym(s) 5-Fluorobenzoxazole-2-thiol
  • SMILES S=C1OC2=CC=C(F)C=C2N1

Description

5-Fluorobenzo[d]oxazole-2-thiol integrates a fluorinated benzene ring with a thiol-functionalized oxazole scaffold, delivering enhanced electron-withdrawing character and improved solubility in polar solvents. This bench-stable heterocycle serves as a key building block for bioactive molecules in medicinal chemistry and materials science.

Application

5-Fluorobenzo[d]oxazole-2-thiol serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its thiol functionality enables reliable conjugation reactions, while the fluorinated aromatic core enhances metabolic stability and modulates electronic properties. The compound exhibits bench stability and facilitates efficient incorporation into complex scaffolds via standard coupling protocols.

Synthesis

  • Route1
    • In-stock
      2-Amino-4-fluorophenol|CS-W007691
      399-97-3
    • null|null
      140-89-6
    • ~72%
    • In-stock
      5-Fluorobenzo[d]oxazole-2-thiol|CS-W005135
      13451-78-0

    References

    • GALLEON PHARMACEUTICALS, INC. Patent: WO2009/151744 A1, 2009 ; Location in patent: Page/Page column 118 ;
  • Route2
    • null|null
      75-15-0
    • In-stock
      2-Amino-4-fluorophenol|CS-W007691
      399-97-3
    • ~%
    • In-stock
      5-Fluorobenzo[d]oxazole-2-thiol|CS-W005135
      13451-78-0

    References

    • Journal of Medicinal Chemistry, , vol. 37, # 7 p. 913 - 923
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 15, # 10 p. 3515 - 3523

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.93
  • LogP   2.62949
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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