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CS-W001157 4
Total: USD 88.00

Methyl 3-mercaptobenzoate

  • CAS No. 72886-42-1

  • Cat. No. CS-M0304
  • Purity≥95%
  • MDL No.MFCD02094279

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

Methyl 3-mercaptobenzoate|CS-M0304

Structure of 72886-42-1

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General Information

  • CAS No. 72886-42-1
  • Cat. No. CS-M0304
  • Purity ≥95%
  • MDL No. MFCD02094279
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₂S
  • Molecular Weight 168.21
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC(S)=CC=C1

Description

Methyl 3-mercaptobenzoate features a thiol group ortho to the ester moiety, enabling selective conjugation in bioconjugation and medicinal chemistry. This bench-stable, moisture-tolerant reagent integrates readily into sulfur-directed synthetic sequences, offering high functional group compatibility for modular scaffold construction.

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      4869-59-4
    • ~98%
    • In-stock
      Methyl 3-mercaptobenzoate|CS-M0304
      72886-42-1

    References

    • Boehm, Hans-Joachim; Boehringer, Markus; Bur, Daniel; Gmuender, Hans; Huber, Walter; Klaus, Werner; Kostrewa, Dirk; Kuehne, Holger; Luebbers, Thomas; Meunier-Keller, Nathalie; Mueller, Francis Journal of Medicinal Chemistry, 2000 , vol. 43, # 14 p. 2664 - 2674
  • Route2

    References

    • Helvetica Chimica Acta, , vol. 22, p. 360,364
  • Route3
    • null|null
      4869-59-4
    • ~%
    • In-stock
      Methyl 3-mercaptobenzoate|CS-M0304
      72886-42-1

    References

    • Helvetica Chimica Acta, , vol. 22, p. 360,364

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.7619
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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