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CS-W001157 4
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2-(Benzo[d][1,3]dioxol-5-ylmethylene)hydrazine-1-carbothioamide

  • CAS No. 5351-85-9

  • Cat. No. CS-0364741
  • Molecule weight223.25
  • Purity≥98%
  • MDL No.None

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

2-(Benzo[d][1,3]dioxol-5-ylmethylene)hydrazine-1-carbothioamide|CS-0364741

Structure of 5351-85-9

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General Information

  • CAS No. 5351-85-9
  • Cat. No. CS-0364741
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O₂S
  • Molecular Weight 223.25
  • Synonym(s) Piperonal, thiosemicarbazone
  • SMILES S=C(N)NN=CC1=CC2=C(C=C1)OCO2

Synthesis

  • Route1

    References

    • Beckford, Floyd A.; Thessing, Jeffrey; Shaloski Jr., Michael; Mbarushimana, P. Canisius; Brock, Alyssa; Didion, Jacob; Woods, Jason; Gonzalez-Sarrias, Antonio; Seeram, Navindra P. Journal of Molecular Structure, 2011 , vol. 992, # 1-3 p. 39 - 47
  • Route2
    • null|null
      1157954-32-9
    • In-stock
      Thiosemicarbazide|CS-0008325
      79-19-6
    • ~0%
    • null|null
      1246081-60-6
    • 2-(Benzo[d][1,3]dioxol-5-ylmethylene)hydrazine-1-carbothioamide|CS-0364741
      5351-85-9

    References

    • Shiba; El-Ziaty; El-Aasar; Al-Saman Phosphorus, Sulfur and Silicon and the Related Elements, 2010 , vol. 185, # 8 p. 1645 - 1657
  • Route3

    References

    • Miyatake Yakugaku Zasshi, 1952 , vol. 72, p. 1162 Chem.Abstr., 1953 , p. 6885

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

Quality Control

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Computational Chemistry Data

  • TPSA   68.87
  • LogP   0.5824
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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