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CS-W001157 4
Total: USD 88.00

4-(Phenylmethyl)-5-thioxo-1,2,4-triazolidin-3-one

  • CAS No. 119482-69-8

  • Cat. No. CS-0006439
  • Purity≥98%
  • MDL No.None

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

4-(Phenylmethyl)-5-thioxo-1,2,4-triazolidin-3-one|CS-0006439

Structure of 119482-69-8

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General Information

  • CAS No. 119482-69-8
  • Cat. No. CS-0006439
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃OS
  • Molecular Weight 207.25
  • Synonym(s) 4-Benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one
  • SMILES S=C(NN1)N(CC2=CC=CC=C2)C1=O

Synthesis

  • Route1
    • null|null
      114841-79-1
    • ~79%
    • 4-(Phenylmethyl)-5-thioxo-1,2,4-triazolidin-3-one|CS-0006439
      119482-69-8

    References

    • Ghorbani-Choghamarani, Arash; Sardari, Sara Chemical Papers, 2012 , vol. 66, # 11 p. 1078 - 1081
  • Route2

    References

    • Ghorbani-Choghamarani, Arash; Sardari, Sara Chemical Papers, 2012 , vol. 66, # 11 p. 1078 - 1081
  • Route3
    • null|null
      100-46-9
    • ~%
    • 4-(Phenylmethyl)-5-thioxo-1,2,4-triazolidin-3-one|CS-0006439
      119482-69-8

    References

    • Ghorbani-Choghamarani, Arash; Sardari, Sara Chemical Papers, 2012 , vol. 66, # 11 p. 1078 - 1081

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   53.58
  • LogP   1.28229
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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