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CS-W001157 4
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2,5-dimethyl-6-nitrobenzo[d]thiazole

  • CAS No. 686747-49-9

  • Cat. No. CS-0005600
  • Molecule weight208.24
  • Purity≥98%
  • MDL No.MFCD18826463

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

2,5-dimethyl-6-nitrobenzo[d]thiazole|CS-0005600

Structure of 686747-49-9

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General Information

  • CAS No. 686747-49-9
  • Cat. No. CS-0005600
  • Purity ≥98%
  • MDL No. MFCD18826463
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂S
  • Molecular Weight 208.24
  • Synonym(s) Benzothiazole, 2,5-dimethyl-6-nitro- (9CI)
  • SMILES O=[N+](C1=C(C)C=C2N=C(C)SC2=C1)[O-]

Synthesis

  • Route1

    References

    • Kiprianow; Shmurowa Zhurnal Obshchei Khimii, 1953 , vol. 23, p. 493,502; engl. Ausg. S. 511, 518
  • Route2
    • 2,5-Dimethylbenzo[d]thiazole|CS-0063216
      95-26-1
    • ~%
    • 2,5-dimethyl-6-nitrobenzo[d]thiazole|CS-0005600
      686747-49-9

    References

    • Kiprianow; Shmurowa Zhurnal Obshchei Khimii, 1953 , vol. 23, p. 493,502; engl. Ausg. S. 511, 518

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   56.03
  • LogP   2.82134
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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