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CS-W001157 4
Total: USD 88.00

6-Fluoro-2-methylbenzo[d]thiazole

  • CAS No. 399-73-5

  • Cat. No. CS-W005688
  • Molecule weight167.20
  • Purity≥98%
  • MDL No.MFCD00012319

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

6-Fluoro-2-methylbenzo[d]thiazole|CS-W005688

Structure of 399-73-5

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General Information

  • CAS No. 399-73-5
  • Cat. No. CS-W005688
  • Purity ≥98%
  • MDL No. MFCD00012319
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNS
  • Molecular Weight 167.20
  • Synonym(s) Benzothiazole, 6-fluoro-2-methyl- (7CI,8CI,9CI)
  • SMILES CC1=NC2=CC=C(F)C=C2S1

Description

6-Fluoro-2-methylbenzo[d]thiazole features a fluorinated benzene ring fused to a thiazole core, delivering enhanced electronic modulation and metabolic stability. The para-fluorine and ortho-methyl substituents create a sterically defined, electron-deficient platform ideal for coupling reactions. This scaffold enables efficient integration into bioactive molecules and functional materials, particularly in pharmaceutical intermediates and fluorescent probes.

Application

6-Fluoro-2-methylbenzo[d]thiazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to biologically active scaffolds. Its fluorinated aryl ring and methyl-substituted thiazole core provide enhanced metabolic stability and tunable electronic properties. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, facilitating straightforward functionalization for drug discovery applications.

Synthesis

  • Route1
    • N-(4-Fluoro-2-iodophenyl)acetamide|CS-0725614
      29654-01-1
    • ~76%
    • In-stock
      6-Fluoro-2-methylbenzo[d]thiazole|CS-W005688
      399-73-5

    References

    • Ma, Dawei; Xue, Peng; Jiang, Yongwen; Xie, Siwei; Zhang, Xiaojing; Dong, Jinhua Angewandte Chemie, International Edition, 2009 , vol. 48, # 23 p. 4222 - 4225
  • Route2

    References

    • Van Zandt, Michael C.; Jones, Michael L.; Gunn, David E.; Geraci, Leo S.; Jones, J. Howard; Sawicki, Diane R.; Sredy, Janet; Jacot, Jorge L.; DiCioccio, A. Thomas; Petrova, Tatiana; Mitschler, Andre; Podjarny, Alberto D. Journal of Medicinal Chemistry, 2005 , vol. 48, # 9 p. 3141 - 3152
  • Route3

    References

    • Van Zandt, Michael C.; Jones, Michael L.; Gunn, David E.; Geraci, Leo S.; Jones, J. Howard; Sawicki, Diane R.; Sredy, Janet; Jacot, Jorge L.; DiCioccio, A. Thomas; Petrova, Tatiana; Mitschler, Andre; Podjarny, Alberto D. Journal of Medicinal Chemistry, 2005 , vol. 48, # 9 p. 3141 - 3152

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   12.89
  • LogP   2.74382
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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