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CS-W001157 4
Total: USD 88.00

6-(Phenylthio)hexanoic acid

  • CAS No. 325698-86-0

  • Cat. No. CS-0582013
  • Purity≥98%
  • MDL No.None

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

6-(Phenylthio)hexanoic acid|CS-0582013

Structure of 325698-86-0

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General Information

  • CAS No. 325698-86-0
  • Cat. No. CS-0582013
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂S
  • Molecular Weight 224.32
  • Synonym(s) 6-Phenylsulfanylhexanoic acid
  • SMILES C1=CC=C(C=C1)SCCCCCC(=O)O

Synthesis

  • Route1
    • null|null
      83836-81-1
    • ~94%
    • 6-(Phenylthio)hexanoic acid|CS-0582013
      325698-86-0

    References

    • BOGER, Dale, L. Patent: WO2008/150492 A1, 2008 ; Location in patent: Page/Page column 87 ; WO 2008/150492 A1
  • Route2

    References

    • Nishimoto, Yoshihiro; Okita, Aya; Yasuda, Makoto; Baba, Akio Organic Letters, 2012 , vol. 14, # 7 p. 1846 - 1849
  • Route3

    References

    • Hardouin, Christophe; Kelso, Michael J.; Romero, F. Anthony; Rayl, Thomas J.; Leung, Donmienne; Hwang, Inkyu; Cravatt, Benjamin F.; Boger, Dale L. Journal of Medicinal Chemistry, 2007 , vol. 50, # 14 p. 3359 - 3368

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.4237
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   7

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