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CS-W001157 4
Total: USD 88.00

6,7-Dihydro-1H-[1,4]dioxino[2',3':4,5]benzo[1,2-d]imidazole-2-thiol

  • CAS No. 81864-47-3

  • Cat. No. CS-0455898
  • Molecule weight208.24
  • Purity≥98%
  • MDL No.None

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

6,7-Dihydro-1H-[1,4]dioxino[2',3':4,5]benzo[1,2-d]imidazole-2-thiol|CS-0455898

Structure of 81864-47-3

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General Information

  • CAS No. 81864-47-3
  • Cat. No. CS-0455898
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂S
  • Molecular Weight 208.24
  • Synonym(s) 6,7-dihydro-1H-[1,4]dioxino[2',3':4,5]benzo[d]imidazole-2-thiol
  • SMILES C1COC2=C(C=C3C(=C2)N=C(N3)S)O1

Synthesis

  • Route1

    References

    • Xuanzhu Pharma Co., Ltd. Patent: EP2532665 A1, 2012 ; Location in patent: Page/Page column 30 ;
  • Route2
    • N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide|CS-0314642
      63546-19-0
    • ~%
    • 6,7-Dihydro-1H-[1,4]dioxino[2',3':4,5]benzo[1,2-d]imidazole-2-thiol|CS-0455898
      81864-47-3

    References

    • EP2532665 A1, ;
  • Route3

    References

    • EP2532665 A1, ;

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   47.14
  • LogP   1.6228
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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