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CS-W001157 4
Total: USD 88.00

5-Nitrobenzo[d]oxazole-2(3H)-thione

  • CAS No. 22876-21-7

  • Cat. No. CS-0042732
  • Purity≥98%
  • MDL No.None

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

5-Nitrobenzo[d]oxazole-2(3H)-thione|CS-0042732

Structure of 22876-21-7

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General Information

  • CAS No. 22876-21-7
  • Cat. No. CS-0042732
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₃S
  • Molecular Weight 196.18
  • Synonym(s) 5-NITRO BENZOXAZOLO-2-THIONE
  • SMILES S=C1OC2=CC=C([N+]([O-])=O)C=C2N1

Synthesis

  • Route1
    • null|null
      140-89-6
    • null|null
      99-57-0
    • ~95%
    • In-stock
      5-Nitrobenzo[d]oxazole-2(3H)-thione|CS-0042732
      22876-21-7

    References

    • Ongarora, Dennis S.B.; Gut, Jiri; Rosenthal, Philip J.; Masimirembwa, Collen M.; Chibale, Kelly Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 15 p. 5046 - 5050
  • Route2
    • null|null
      7308-24-9
    • null|null
      99-57-0
    • ~80%
    • In-stock
      5-Nitrobenzo[d]oxazole-2(3H)-thione|CS-0042732
      22876-21-7

    References

    • ELI LILLY AND COMPANY Patent: WO2006/66173 A2, 2006 ; Location in patent: Page/Page column 47 ; WO 2006/066173 A2
  • Route3
    • null|null
      75-15-0
    • null|null
      99-57-0
    • ~54%
    • In-stock
      5-Nitrobenzo[d]oxazole-2(3H)-thione|CS-0042732
      22876-21-7

    References

    • Singh; Singh, Pallavi; Singh, Shweta Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2007 , vol. 46, # 10 p. 1666 - 1671

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.07
  • LogP   2.39859
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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