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CS-W001157 4
Total: USD 88.00

3,4-Dimethoxybenzenethiol

  • CAS No. 700-96-9

  • Cat. No. CS-W017698
  • Molecule weight170.23
  • Purity≥98%
  • MDL No.MFCD00052823

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

3,4-Dimethoxybenzenethiol|CS-W017698

Structure of 700-96-9

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General Information

  • CAS No. 700-96-9
  • Cat. No. CS-W017698
  • Purity ≥98%
  • MDL No. MFCD00052823
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₂S
  • Molecular Weight 170.23
  • Synonym(s) 3,4-Dimethoxythiophenol
  • SMILES SC1=CC=C(OC)C(OC)=C1

Description

3,4-Dimethoxybenzenethiol features a thiophenol scaffold with electron-donating methoxy groups at the 3- and 4-positions, enhancing nucleophilicity and stability. This bench-stable compound integrates readily into sulfur-directed synthesis, enabling efficient access to functionalized arylthioether architectures in medicinal chemistry and materials science workflows.

Application

3,4-Dimethoxybenzenethiol serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of thioether-linked scaffolds and heterocycles. Its ortho-dimethoxy substitution enhances solubility and stabilizes intermediates during functionalization. The thiol group facilitates reliable coupling reactions, including gold-catalyzed cyclizations and transition-metal-mediated cross-couplings, with excellent bench stability and straightforward purification.

Synthesis

  • Route1

    References

    • Uchiro, Hiromi; Kobayashi, Susumu Tetrahedron Letters, 1999 , vol. 40, # 16 p. 3179 - 3182
  • Route2
    • null|null
      571167-31-2
    • ~97%
    • In-stock
      3,4-Dimethoxybenzenethiol|CS-W017698
      700-96-9

    References

    • Becht, Jean-Michel; Wagner, Alain; Mioskowski, Charles Journal of Organic Chemistry, 2003 , vol. 68, # 14 p. 5758 - 5761
  • Route3
    • 1,2-Dimethoxybenzene Methoxamine  Impurity|CS-0229041
      91-16-7
    • ~%
    • In-stock
      3,4-Dimethoxybenzenethiol|CS-W017698
      700-96-9

    References

    • Journal of Organic Chemistry, , vol. 68, # 14 p. 5758 - 5761

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-P405-P501

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Computational Chemistry Data

  • TPSA   18.46
  • LogP   1.9925
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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