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CS-W001157 4
Total: USD 88.00

2-(Methylthio)benzoic acid

  • CAS No. 3724-10-5

  • Cat. No. CS-W017800
  • Purity≥98%
  • MDL No.None

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

2-(Methylthio)benzoic acid|CS-W017800

Structure of 3724-10-5

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General Information

  • CAS No. 3724-10-5
  • Cat. No. CS-W017800
  • Purity ≥98%
  • 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) o-(Methylthio)benzoic acid
  • SMILES O=C(O)C1=CC=CC=C1SC

Description

This methylthio-substituted benzoic acid features a strategically positioned thioether group that enhances electronic modulation and solubility in organic media. It serves as a key scaffold for synthesizing bioactive molecules, particularly in medicinal chemistry and agrochemical development, where its sulfur-containing functionality enables selective conjugation and metabolic stability.

Synthesis

  • Route1
    • In-stock
      Thiosalicylic acid|CS-W020627
      147-93-3
    • null|null
      74-88-4
    • ~96%
    • In-stock
      2-(Methylthio)benzoic acid|CS-W017800
      3724-10-5

    References

    • Smith, Daniel J.; Yap, Glenn P.A.; Kelley, James A.; Schneider, Joel P. Journal of Organic Chemistry, 2011 , vol. 76, # 6 p. 1513 - 1520
  • Route2

    References

    • Chemische Berichte, , vol. 126, # 8 p. 1955 - 1956
  • Route3
    • null|null
      124-38-9
    • In-stock
      (2-Bromophenyl)(methyl)sulfane|CS-0150107
      19614-16-5
    • ~81%
    • In-stock
      2-(Methylthio)benzoic acid|CS-W017800
      3724-10-5

    References

    • Cabiddu, Maria G.; Cabiddu, Salvatore; Cadoni, Enzo; De Montis, Stefania; Fattuoni, Claudia; Melis, Stefana Tetrahedron, 2004 , vol. 60, # 17 p. 3915 - 3920

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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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