Cas no 1644-85-5 (5-fluoro-1,3-benzothiazole)

5-Fluoro-1,3-benzothiazole is a fluorinated heterocyclic compound featuring a benzothiazole core structure substituted with a fluorine atom at the 5-position. This modification enhances its electronic properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The fluorine atom improves metabolic stability and bioavailability, which is advantageous in drug development. Its rigid benzothiazole scaffold also contributes to strong binding affinity in target interactions. The compound is utilized in the preparation of bioactive molecules, particularly in the design of kinase inhibitors and antimicrobial agents. High purity and consistent quality ensure reliable performance in research and industrial applications.
5-fluoro-1,3-benzothiazole structure
5-fluoro-1,3-benzothiazole structure
Product Name:5-fluoro-1,3-benzothiazole
CAS No:1644-85-5
MF:C7H4FNS
MW:153.176763534546
MDL:MFCD06659658
CID:117916
PubChem ID:18786167
Update Time:2025-10-24

5-fluoro-1,3-benzothiazole Chemical and Physical Properties

Names and Identifiers

    • 5-Fluorobenzo[d]thiazole
    • 5-fluoro-1,3-benzothiazole
    • 5-Fluorobenzothiazole
    • Benzothiazole,5-fluoro-
    • 5-FLUORO-1,3-BENZOTHIAZOL
    • BENZOTHIAZOLE,5-FLUORO
    • Benzothiazole, 5-fluoro- (7CI,8CI,9CI)
    • BENZOTHIAZOLE, 5-FLUORO-
    • ANEKYSBZODRVRB-UHFFFAOYSA-N
    • AB26031
    • V3651
    • AKOS006292873
    • 1644-85-5
    • DS-16483
    • SCHEMBL4054554
    • DTXSID20596253
    • FT-0710221
    • EN300-3483593
    • MFCD06659658
    • CS-0043969
    • DA-09555
    • MDL: MFCD06659658
    • Inchi: 1S/C7H4FNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
    • InChI Key: ANEKYSBZODRVRB-UHFFFAOYSA-N
    • SMILES: S1C=NC2C=C(C=CC1=2)F

Computed Properties

  • Exact Mass: 153.00500
  • Monoisotopic Mass: 153.00484847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 131
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 41.1

Experimental Properties

  • PSA: 41.13000
  • LogP: 2.43540

5-fluoro-1,3-benzothiazole Customs Data

  • HS CODE:29342000

5-fluoro-1,3-benzothiazole Pricemore >>

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Additional information on 5-fluoro-1,3-benzothiazole

Comprehensive Overview of 5-Fluoro-1,3-Benzothiazole (CAS No. 1644-85-5): Properties, Applications, and Industry Insights

5-Fluoro-1,3-benzothiazole (CAS No. 1644-85-5) is a fluorinated heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. The benzothiazole core, combined with a fluorine substituent, enhances its reactivity and bioavailability, making it a valuable intermediate in synthetic chemistry. Researchers frequently search for "5-fluoro-1,3-benzothiazole synthesis" or "CAS 1644-85-5 applications," reflecting its growing relevance in drug discovery and material science.

The compound's molecular formula, C7H4FNS, and molecular weight of 153.18 g/mol, position it as a lightweight yet highly functionalized building block. Its fluorobenzothiazole derivatives are often explored for their potential in designing kinase inhibitors and antimicrobial agents. Recent studies highlight its role in addressing antibiotic resistance, a pressing global health concern, aligning with searches like "benzothiazole derivatives for drug development."

From a synthetic perspective, 5-fluoro-1,3-benzothiazole is typically prepared via cyclization reactions of fluorinated aniline precursors, a topic frequently queried as "how to synthesize 5-fluoro-1,3-benzothiazole." Its stability under physiological conditions and ability to undergo cross-coupling reactions make it a versatile scaffold for medicinal chemistry applications. Notably, its electron-withdrawing fluorine group improves binding affinity in target proteins, a feature often discussed in forums on "fluorine effects in drug design."

Beyond pharmaceuticals, CAS 1644-85-5 finds niche applications in organic electronics, where its conjugated system contributes to charge transport properties. Queries such as "benzothiazole in OLED materials" underscore this emerging interest. Environmental scientists also investigate its degradation pathways, responding to trends like "green chemistry for heterocycles."

Quality control of 5-fluoro-1,3-benzothiazole is critical, with HPLC and NMR being standard analytical techniques—searches for "purity analysis of CAS 1644-85-5" reflect this demand. Suppliers often provide technical data sheets detailing storage recommendations (typically under inert atmospheres) and handling precautions, addressing common concerns like "stability of fluorinated benzothiazoles."

In conclusion, 5-fluoro-1,3-benzothiazole (CAS No. 1644-85-5) exemplifies the intersection of fundamental chemistry and applied research. Its adaptability across disciplines—from small-molecule therapeutics to advanced materials—ensures its continued prominence. As innovation accelerates, this compound will likely remain a focal point for queries like "future of fluorinated heterocycles" and "benzothiazole-based drug candidates."

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