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CS-W001157 4
Total: USD 88.00

2-((Phenylthio)methyl)benzoic acid

  • CAS No. 1699-03-2

  • Cat. No. CS-0324210
  • Purity≥95%
  • MDL No.None

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

2-((Phenylthio)methyl)benzoic acid|CS-0324210

Structure of 1699-03-2

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General Information

  • CAS No. 1699-03-2
  • Cat. No. CS-0324210
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂O₂S
  • Molecular Weight 244.31
  • Synonym(s) 2-Phenylmercaptomethylbenzoic Acid
  • SMILES C1=CC=C(C=C1)SCC2=CC=CC=C2C(=O)O

Synthesis

  • Route1

    References

    • Organic and Biomolecular Chemistry, , vol. 11, # 19 p. 3128 - 3144
  • Route2
    • null|null
      92164-25-5
    • ~%
    • 2-((Phenylthio)methyl)benzoic acid|CS-0324210
      1699-03-2

    References

    • Journal of Medicinal and Pharmaceutical Chemistry, , vol. 5, p. 1207 - 1215
  • Route3
    • null|null
      108-98-5
    • ~%
    • 2-((Phenylthio)methyl)benzoic acid|CS-0324210
      1699-03-2

    References

    • Journal of Medicinal and Pharmaceutical Chemistry, , vol. 5, p. 1207 - 1215

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   3.6771
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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