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CS-W001157 4
Total: USD 88.00

4-[(phenylsulfanyl)methyl]benzoic acid

  • CAS No. 88382-49-4

  • Cat. No. CS-0221638
  • Purity≥97%
  • MDL No.MFCD03991405

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

4-[(phenylsulfanyl)methyl]benzoic acid|CS-0221638

Structure of 88382-49-4

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General Information

  • CAS No. 88382-49-4
  • Cat. No. CS-0221638
  • Purity ≥97%
  • MDL No. MFCD03991405
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂O₂S
  • Molecular Weight 244.31
  • Synonym(s) 4-[(Phenylthio)methyl]benzoic acid
  • SMILES C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)O

Synthesis

  • Route1

    References

    • DeGraw; Christie; Brown; Kelly; Kisliuk; Gaumont; Sirotnak Journal of Medicinal Chemistry, 1984 , vol. 27, # 3 p. 376 - 380
  • Route2

    References

    • Kassem, Ahmed A.; El-Bardan, Ali A.; Mansour, El-Sayed M. E. Journal of Chemical & Engineering Data, 1987 , vol. 32, # 4 p. 483 - 485
  • Route3
    • Suvorexant Impurity 19|CS-1003576
      31719-79-6
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      930-69-8
    • ~%
    • 4-[(phenylsulfanyl)methyl]benzoic acid|CS-0221638
      88382-49-4

    References

    • Hamed, Ezzat A.; El-Bardan, Ali A.; El-Mallah, Nabila M. International Journal of Chemical Kinetics, 1996 , vol. 28, # 4 p. 283 - 289

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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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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