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CS-W001157 4
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3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one

  • CAS No. 453-69-0

  • Cat. No. CS-0116990
  • Purity≥98%
  • MDL No.None

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

3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one|CS-0116990

Structure of 453-69-0

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General Information

  • CAS No. 453-69-0
  • Cat. No. CS-0116990
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈FNOS₂
  • Molecular Weight 241.31
  • Synonym(s) None
  • SMILES O=C1N(CC2=CC=C(F)C=C2)C(SC1)=S

Synthesis

  • Route1

    References

    • Nitsche, Christoph; Schreier, Verena N.; Behnam, Mira A. M.; Kumar, Anil; Bartenschlager, Ralf; Klein, Christian D. Journal of Medicinal Chemistry, 2013 , vol. 56, # 21 p. 8389 - 8403
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    • 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one|CS-0116990
      453-69-0

    References

    • Brown et al. Journal of the American Chemical Society, 1956 , vol. 78, p. 384,388
  • Route3

    References

    • Brown et al. Journal of the American Chemical Society, 1956 , vol. 78, p. 384,388

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   20.31
  • LogP   2.186
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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