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CS-W001157 4
Total: USD 88.00

2-[(2-oxopropyl)sulfanyl]benzoic acid

  • CAS No. 336186-19-7

  • Cat. No. CS-0308149
  • Molecule weight210.25
  • Purity≥97%
  • MDL No.None

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

2-[(2-oxopropyl)sulfanyl]benzoic acid|CS-0308149

Structure of 336186-19-7

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General Information

  • CAS No. 336186-19-7
  • Cat. No. CS-0308149
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃S
  • Molecular Weight 210.25
  • Synonym(s) 2-[(2-Oxopropyl)thio]benzoic acid
  • SMILES O=C(O)C1=CC=CC=C1SCC(C)=O

Synthesis

  • Route1

    References

    • Marcaccini, Stefano; Miguel, Daniel; Torroba, Tomas; Garcia-Valverde, Maria Journal of Organic Chemistry, 2003 , vol. 68, # 8 p. 3315 - 3318
  • Route2
    • null|null
      7283-41-2
    • null|null
      78-95-5
    • ~63%
    • 2-[(2-oxopropyl)sulfanyl]benzoic acid|CS-0308149
      336186-19-7

    References

    • Dainippon Sumitomo Pharma Co., Ltd. Patent: EP1837329 A1, 2007 ;
  • Route3
    • null|null
      7647-01-0
    • In-stock
      Thiosalicylic acid|CS-W020627
      147-93-3
    • null|null
      78-95-5
    • ~%
    • 2-[(2-oxopropyl)sulfanyl]benzoic acid|CS-0308149
      336186-19-7

    References

    • MERCK and CO., INC. Patent: WO2004/20408 A1, 2004 ; Location in patent: Page 53 ;

Safety Information

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.0659
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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