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CS-W001157 4
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5-Amino-2-(phenylthio)benzoic acid

  • CAS No. 63185-86-4

  • Cat. No. CS-0270225
  • Molecule weight245.30
  • Purity95+%
  • MDL No.None

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

5-Amino-2-(phenylthio)benzoic acid|CS-0270225

Structure of 63185-86-4

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General Information

  • CAS No. 63185-86-4
  • Cat. No. CS-0270225
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₂S
  • Molecular Weight 245.30
  • Synonym(s) 5-AMINO-2-PHENYLSULFANYL-BENZOIC ACID
  • SMILES C1=CC=C(C=C1)SC2=C(C=C(C=C2)N)C(=O)O

Synthesis

  • Route1
    • 5-Nitro-2-(phenylthio)benzoic acid|CS-0668953
      6345-67-1
    • ~83%
    • 5-Amino-2-(phenylthio)benzoic acid|CS-0270225
      63185-86-4

    References

    • Arur, P. V.; Kulkarni, Sheshgiri N. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 1 p. 50 - 52
  • Route2

    References

    • Valenta; Bartl; Dlabac; et al. Collection of Czechoslovak Chemical Communications, 1976 , vol. 41, # 12 p. 3607 - 3627
  • Route3
    • null|null
      108-98-5
    • ~%
    • 5-Amino-2-(phenylthio)benzoic acid|CS-0270225
      63185-86-4

    References

    • Valenta; Bartl; Dlabac; et al. Collection of Czechoslovak Chemical Communications, 1976 , vol. 41, # 12 p. 3607 - 3627

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   63.32
  • LogP   3.1182
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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