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CS-W001157 4
Total: USD 88.00

4-(3,4-Dihydro-2h-benzo[b][1,4]dioxepin-7-yl)thiazol-2(3h)-imine

  • CAS No. 306935-51-3

  • Cat. No. CS-0271956
  • Molecule weight248.30
  • Purity95+%
  • MDL No.None

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

4-(3,4-Dihydro-2h-benzo[b][1,4]dioxepin-7-yl)thiazol-2(3h)-imine|CS-0271956

Structure of 306935-51-3

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General Information

  • CAS No. 306935-51-3
  • Cat. No. CS-0271956
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₂O₂S
  • Molecular Weight 248.30
  • Synonym(s) 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)thiazol-2-amine
  • SMILES C1COC2=C(C=C(C=C2)C3=CSC(=N)N3)OC1

Synthesis

  • Route1
    • null|null
      35970-34-4
    • null|null
      17356-08-0
    • ~91%
    • 4-(3,4-Dihydro-2h-benzo[b][1,4]dioxepin-7-yl)thiazol-2(3h)-imine|CS-0271956
      306935-51-3

    References

    • Synlett, , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746
  • Route2
    • 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethan-1-one|CS-0464845
      22776-09-6
    • ~%
    • 4-(3,4-Dihydro-2h-benzo[b][1,4]dioxepin-7-yl)thiazol-2(3h)-imine|CS-0271956
      306935-51-3

    References

    • Synlett, , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746
  • Route3
    • null|null
      120-80-9
    • ~%
    • 4-(3,4-Dihydro-2h-benzo[b][1,4]dioxepin-7-yl)thiazol-2(3h)-imine|CS-0271956
      306935-51-3

    References

    • Synlett, , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746

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   58.1
  • LogP   2.38397
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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