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CS-W001157 4
Total: USD 88.00

4-Methyl-1,3-benzothiazole

  • CAS No. 3048-48-4

  • Cat. No. CS-0061214
  • Purity≥97%
  • MDL No.MFCD11975739

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

4-Methyl-1,3-benzothiazole|CS-0061214

Structure of 3048-48-4

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General Information

  • CAS No. 3048-48-4
  • Cat. No. CS-0061214
  • Purity ≥97%
  • MDL No. MFCD11975739
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NS
  • Molecular Weight None
  • Synonym(s) Benzothiazole, 4-methyl- (7CI,8CI,9CI)
  • SMILES CC1=C2C(=CC=C1)SC=N2

Synthesis

  • Route1

    References

    • Tang, Ri-Yuan; Xie, Ye-Xiang; Xie, Yi-Li; Xiang, Jian-Nan; Li, Jin-Heng Chemical Communications, 2011 , vol. 47, # 48 p. 12867 - 12869
  • Route2
    • N-(4-methylbenzo[d]thiazol-2-yl)acetamide|CS-0367867
      100817-89-8
    • ~%
    • In-stock
      4-Methyl-1,3-benzothiazole|CS-0061214
      3048-48-4

    References

    • Nitta, Aiko; Fujii, Hideaki; Sakami, Satoshi; Nishimura, Yutaka; Ohyama, Tomofumi; Satoh, Mikiya; Nakaki, Junko; Satoh, Shiho; Inada, Chifumi; Kozono, Hideki; Kumagai, Hiroki; Shimamura, Masahiro; Fukazawa, Tominaga; Kawai, Hideki Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 20 p. 5435 - 5438
  • Route3

    References

    • Rassow; Reim Journal fuer Praktische Chemie (Leipzig), 1916 , vol. <2> 93, p. 238

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

Quality Control

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   2.60472
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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