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CS-W001157 4
Total: USD 88.00

4-(Methylthio)benzoic acid

  • CAS No. 13205-48-6

  • Cat. No. CS-0063816
  • Purity≥97%
  • MDL No.None

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

4-(Methylthio)benzoic acid|CS-0063816

Structure of 13205-48-6

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General Information

  • CAS No. 13205-48-6
  • Cat. No. CS-0063816
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₂S
  • Molecular Weight 168.21
  • Synonym(s) 4-(methylsulfanyl)benzoic acid
  • SMILES O=C(O)C1=CC=C(SC)C=C1

Description

Administration of 4-(methylthio)benzoic acid reduces cisplatin nephrotoxicity in rats. It prevents in vitro DNA binding and mutation induction in Escherichia coli K12.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      (4-Bromophenyl)(methyl)sulfane|CS-W015471
      104-95-0
    • ~86%
    • In-stock
      4-(Methylthio)benzoic acid|CS-0063816
      13205-48-6

    References

    • Cabiddu, Maria G.; Cabiddu, Salvatore; Cadoni, Enzo; De Montis, Stefania; Fattuoni, Claudia; Melis, Stefana Tetrahedron, 2004 , vol. 60, # 17 p. 3915 - 3920
  • Route2
    • null|null
      201230-82-2
    • In-stock
      (4-Bromophenyl)(methyl)sulfane|CS-W015471
      104-95-0
    • ~11%
    • In-stock
      4-(Methylthio)benzoic acid|CS-0063816
      13205-48-6
    • Methyl 4-(methylthio)benzoate|CS-W017099
      3795-79-7

    References

    • Journal of Organic Chemistry, , vol. 60, # 26 p. 8336 - 8340
  • Route3

    References

    • Zweifel, Theo; Naubron, Jean-Valere; Gruetzmacher, Hansjoerg Angewandte Chemie - International Edition, 2009 , vol. 48, # 3 p. 559 - 563

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.1067
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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