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CS-W001157 4
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6-Chloro-2-thiatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one

  • CAS No. 1469-28-9

  • Cat. No. CS-0217307
  • Purity95+%
  • MDL No.MFCD01411917

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

6-Chloro-2-thiatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one|CS-0217307

Structure of 1469-28-9

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General Information

  • CAS No. 1469-28-9
  • Cat. No. CS-0217307
  • Purity 95+%
  • MDL No. MFCD01411917
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉ClOS
  • Molecular Weight 260.74
  • Synonym(s) 8-chlorodibenzo[b,f]thiepin-10(11H)-one
  • SMILES C1=CC=C2C(=C1)CC(=O)C3=C(C=CC(=C3)Cl)S2

Synthesis

  • Route1
    • 2-(2-((4-Chlorophenyl)thio)phenyl)acetic acid|CS-0444774
      13459-62-6
    • ~75%
    • In-stock
      6-Chloro-2-thiatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one|CS-0217307
      1469-28-9

    References

    • Kristensen, Jesper L.; Pueschl, Ask; Jensen, Martin; Risgaard, Rune; Christoffersen, Claus T.; Bang-Andersen, Benny; Balle, Thomas Journal of Medicinal Chemistry, 2010 , vol. 53, # 19 p. 7021 - 7034

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   4.23
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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