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CS-W001157 4
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2-Methylbenzo[d]thiazole-6-carbonitrile

  • CAS No. 42474-60-2

  • Cat. No. CS-0005539
  • Molecule weight174.22
  • Purity≥97%
  • MDL No.MFCD16619173

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

2-Methylbenzo[d]thiazole-6-carbonitrile|CS-0005539

Structure of 42474-60-2

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General Information

  • CAS No. 42474-60-2
  • Cat. No. CS-0005539
  • Purity ≥97%
  • MDL No. MFCD16619173
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂S
  • Molecular Weight 174.22
  • Synonym(s) 6-Cyano-2-methylbenzothiazole
  • SMILES N#CC1=CC=C2N=C(C)SC2=C1

Synthesis

  • Route1

    References

    • Hrobarik, Peter; Sigmundova, Ivica; Zahradnik, Pavol Synthesis, 2005 , # 4 art. no. P11804SS, p. 600 - 604
  • Route2

    References

    • Caleta; Grdisa; Mrvos-Sermek; Cetina; Tralic-Kulenovic; Pavelic; Karminski-Zamola Farmaco, 2004 , vol. 59, # 4 p. 297 - 305
  • Route3

    References

    • Caleta; Grdisa; Mrvos-Sermek; Cetina; Tralic-Kulenovic; Pavelic; Karminski-Zamola Farmaco, 2004 , vol. 59, # 4 p. 297 - 305

Safety Information

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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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