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CS-W001157 4
Total: USD 88.00

5-Amino-2-phenylsulfanyl-benzoic acid methyl ester

  • CAS No. 361336-73-4

  • Cat. No. CS-0210674
  • Molecule weight259.32
  • Purity≥97%
  • MDL No.MFCD06658472

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

5-Amino-2-phenylsulfanyl-benzoic acid methyl ester|CS-0210674

Structure of 361336-73-4

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General Information

  • CAS No. 361336-73-4
  • Cat. No. CS-0210674
  • Purity ≥97%
  • MDL No. MFCD06658472
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃NO₂S
  • Molecular Weight 259.32
  • Synonym(s) methyl 5-azanyl-2-phenylsulfanyl-benzoate
  • SMILES COC(=O)C1=C(C=CC(=C1)N)SC2=CC=CC=C2

Synthesis

  • Route1
    • Methyl 5-nitro-2-(phenylthio)benzoate|CS-0367146
      361336-72-3
    • ~74%
    • 5-Amino-2-phenylsulfanyl-benzoic acid methyl ester|CS-0210674
      361336-73-4

    References

    • Parlow, John J.; Stevens, Anna M.; Stegeman, Roderick A.; Stallings, William C.; Kurumbail, Ravi G.; South, Michael S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 20 p. 4297 - 4312
  • Route2

    References

    • Parlow, John J.; Stevens, Anna M.; Stegeman, Roderick A.; Stallings, William C.; Kurumbail, Ravi G.; South, Michael S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 20 p. 4297 - 4312
  • Route3
    • 5-Nitro-2-(phenylthio)benzoic acid|CS-0668953
      6345-67-1
    • ~%
    • 5-Amino-2-phenylsulfanyl-benzoic acid methyl ester|CS-0210674
      361336-73-4

    References

    • Parlow, John J.; Stevens, Anna M.; Stegeman, Roderick A.; Stallings, William C.; Kurumbail, Ravi G.; South, Michael S. Journal of Medicinal Chemistry, 2003 , vol. 46, # 20 p. 4297 - 4312

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   3.2066
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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