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CS-W001157 4
Total: USD 88.00

2-Methylbenzo[d]thiazole-5-carbonitrile

  • CAS No. 90418-93-2

  • Cat. No. CS-0043741
  • Purity≥98%
  • MDL No.MFCD18415973

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

2-Methylbenzo[d]thiazole-5-carbonitrile|CS-0043741

Structure of 90418-93-2

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General Information

  • CAS No. 90418-93-2
  • Cat. No. CS-0043741
  • Purity ≥98%
  • MDL No. MFCD18415973
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂S
  • Molecular Weight 174.22
  • Synonym(s) 5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI)
  • SMILES CC1=NC2=C(S1)C=CC(=C2)C#N

Synthesis

  • Route1
    • In-stock
      5-Bromo-2-methylbenzothiazole|CS-W005065
      63837-11-6
    • null|null
      557-21-1
    • ~93%
    • In-stock
      2-Methylbenzo[d]thiazole-5-carbonitrile|CS-0043741
      90418-93-2

    References

    • Alantos Pharmaceuticals, Inc., Patent: US2006/173183 A1, 2006 ; Location in patent: Page/Page column 97 ;
  • Route2
    • 5-Iodo-2-methylbenzo[d]thiazole|CS-0050456
      90414-61-2
    • null|null
      557-21-1
    • ~%
    • In-stock
      2-Methylbenzo[d]thiazole-5-carbonitrile|CS-0043741
      90418-93-2

    References

    • ASTRAZENECA AB Patent: WO2006/68592 A1, 2006 ; Location in patent: Page/Page column 19 ; WO 2006/068592 A1
  • Route3

    References

    • Yeung, Pui Yee; So, Chau Ming; Lau, Chak Po; Kwong, Fuk Yee Angewandte Chemie - International Edition, 2010 , vol. 49, # 47 p. 8918 - 8922

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.4764
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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