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CS-W001157 4
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4-[(4-Chlorophenyl)thio]butanoic acid

  • CAS No. 29193-63-3

  • Cat. No. CS-0072918
  • Molecule weight230.71
  • Purity≥97%
  • MDL No.MFCD00460787

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

4-[(4-Chlorophenyl)thio]butanoic acid|CS-0072918

Structure of 29193-63-3

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General Information

  • CAS No. 29193-63-3
  • Cat. No. CS-0072918
  • Purity ≥97%
  • MDL No. MFCD00460787
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁ClO₂S
  • Molecular Weight 230.71
  • Synonym(s) 4-[(4-Chlorophenyl)sulfanyl]butanoic acid
  • SMILES O=C(CCCSC1=CC=C(Cl)C=C1)O

Synthesis

  • Route1

    References

    • EMISPHERE TECHNOLOGIES, INC.; WANG, Nai, Fang; SARAF, Sushma; PUSZTAY, Stephen, V. Patent: WO2008/14430 A1, 2008 ; Location in patent: Page/Page column 49 ;
  • Route2
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    • 4-[(4-Chlorophenyl)thio]butanoic acid|CS-0072918
      29193-63-3

    References

    • Kresze,G. et al. Chemische Berichte, 1961 , vol. 94, p. 2060 - 2072
  • Route3
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      96-48-0
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    • ~%
    • 4-[(4-Chlorophenyl)thio]butanoic acid|CS-0072918
      29193-63-3

    References

    • Kukalenko,S.S. Journal of Organic Chemistry USSR (English Translation), 1970 , vol. 6, p. 682 - 685 Zhurnal Organicheskoi Khimii, 1970 , vol. 6, # 4 p. 680 - 684

Safety Information

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.2969
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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