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CS-W001157 4
Total: USD 88.00

3,4-Dimercaptophenol

  • CAS No. 742080-42-8

  • Cat. No. CS-0044677
  • Purity≥97%
  • MDL No.None

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

3,4-Dimercaptophenol|CS-0044677

Structure of 742080-42-8

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General Information

  • CAS No. 742080-42-8
  • Cat. No. CS-0044677
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆OS₂
  • Molecular Weight 158.24
  • Synonym(s) Phenol, 3,4-dimercapto- (9CI)
  • SMILES OC1=CC=C(S)C(S)=C1

Synthesis

  • Route1
    • null|null
      742080-41-7
    • ~98%
    • 3,4-Dimercaptophenol|CS-0044677
      742080-42-8

    References

    • Tan, Qiang; Birzin, Elizabeth T.; Chan, Wanda; Yang, Yi Tien; Pai, Lee-Yuh; Hayes, Edward C.; Dasilva, Carolyn A.; Dininno, Frank; Rohrer, Susan P.; Schaeffer, James M.; Hammond, Milton L. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 14 p. 3753 - 3755
  • Route2
    • 1,4-Dithiaspiro[4.5]Decan-8-one|CS-0598062
      54531-74-7
    • ~%
    • 3,4-Dimercaptophenol|CS-0044677
      742080-42-8

    References

    • Tan, Qiang; Birzin, Elizabeth T.; Chan, Wanda; Yang, Yi Tien; Pai, Lee-Yuh; Hayes, Edward C.; Dasilva, Carolyn A.; Dininno, Frank; Rohrer, Susan P.; Schaeffer, James M.; Hammond, Milton L. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 14 p. 3753 - 3755

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.9696
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   0

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