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CS-W001157 4
Total: USD 88.00

2-[(4-amino-5-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid

  • CAS No. 114402-22-1

  • Cat. No. CS-0222415
  • Molecule weight250.28
  • Purity95+%
  • MDL No.None

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

2-[(4-amino-5-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid|CS-0222415

Structure of 114402-22-1

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General Information

  • CAS No. 114402-22-1
  • Cat. No. CS-0222415
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₄O₂S
  • Molecular Weight 250.28
  • Synonym(s) UKRORGSYN-BB BBV-200818
  • SMILES C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)O

Synthesis

  • Route1
    • null|null
      22706-11-2
    • null|null
      79-11-8
    • ~90%
    • 2-[(4-amino-5-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid|CS-0222415
      114402-22-1

    References

    • Xia, Qingchun; Xu, Dongfang; He, Qizhuang; Li, Xingyu; Sun, Dazhi Chinese Journal of Chemistry, 2010 , vol. 28, # 12 p. 2433 - 2440
  • Route2
    • null|null
      22706-11-2
    • ~%
    • 2-[(4-amino-5-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid|CS-0222415
      114402-22-1

    References

    • Eastman Kodak Co. Patent: US2819965 , 1956 ; Full Text Show Details Hoggarth Journal of the Chemical Society, 1952 , p. 4811,4817
  • Route3
    • null|null
      111828-07-0
    • ~63%
    • 2-[(4-amino-5-phenyl-4h-1,2,4-triazol-3-yl)sulfanyl]acetic acid|CS-0222415
      114402-22-1

    References

    • Sung; Lee Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 5 p. 1101 - 1109

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   94.03
  • LogP   0.8356
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   4

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