Cas no 70590-43-1 (4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one)

4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one is a heterocyclic compound featuring a benzothiazole core partially saturated with a ketone functional group at the 6-position. This structure imparts versatility in synthetic applications, particularly as a key intermediate in pharmaceuticals and agrochemicals. Its fused bicyclic system offers stability while allowing for further functionalization, making it valuable in the development of biologically active molecules. The compound's reactivity is influenced by the ketone moiety, enabling selective modifications for targeted synthesis. High purity grades ensure consistent performance in research and industrial processes. Its utility spans medicinal chemistry, where it serves as a scaffold for drug discovery, and material science, contributing to advanced functional materials.
4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one structure
70590-43-1 structure
Product Name:4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one
CAS No:70590-43-1
MF:C7H7NOS
MW:153.201580286026
MDL:MFCD18451951
CID:975370
PubChem ID:18705920
Update Time:2025-06-14

4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one Chemical and Physical Properties

Names and Identifiers

    • 4,7-dihydro-6(5H)-Benzothiazolone
    • 4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one
    • 4,5,6,7-tetrahydrobenzothiazol-6-one
    • 4,5-DIHYDROBENZO[D]THIAZOL-6(7H)-ONE
    • 6(5H)-Benzothiazolone, 4,7-dihydro-
    • 70590-43-1
    • VCA59043
    • 6(5H)-Benzothiazolone, 4,7-dihydro-
    • N13364
    • SCHEMBL7408577
    • 6(5h)-benzo[d]thiazolone,4,7-dihydro-
    • 5,7-DIHYDRO-4H-1,3-BENZOTHIAZOL-6-ONE
    • FT-0722452
    • MFCD18451951
    • DA-22007
    • MDL: MFCD18451951
    • Inchi: 1S/C7H7NOS/c9-5-1-2-6-7(3-5)10-4-8-6/h4H,1-3H2
    • InChI Key: CTZXVGSIGHCXGQ-UHFFFAOYSA-N
    • SMILES: S1C=NC2=C1CC(CC2)=O

Computed Properties

  • Exact Mass: 153.025
  • Monoisotopic Mass: 153.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 58.2A^2
  • XLogP3: 0.7

4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one Pricemore >>

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Additional information on 4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one

Comprehensive Overview of 4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one (CAS No. 70590-43-1): Properties, Applications, and Industry Insights

4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one (CAS No. 70590-43-1) is a heterocyclic organic compound with a unique structural framework combining benzothiazole and ketone functionalities. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its versatile reactivity and potential as a building block for bioactive molecules. The benzothiazole core is known for its prevalence in drug discovery, making derivatives like this one valuable for medicinal chemistry applications.

In recent years, the demand for heterocyclic compounds such as 4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one has surged, driven by advancements in synthetic methodologies and the growing need for novel therapeutic agents. Researchers frequently search for "benzothiazole derivatives uses" or "CAS 70590-43-1 applications," reflecting the compound's relevance in drug development. Its ketone group offers a reactive site for further functionalization, enabling the creation of targeted molecules for conditions like inflammation or microbial infections.

From an industrial perspective, 70590-43-1 is often explored for its role in catalysis and material science. Its stability under various conditions makes it suitable for designing advanced polymers or coatings. Environmental considerations also play a role, with queries like "biodegradability of benzothiazole compounds" gaining traction. While not classified as hazardous, proper handling protocols are recommended to ensure workplace safety during large-scale synthesis.

The synthesis of 4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one typically involves cyclization reactions of precursor amines and carbonyl compounds. Optimizing yield and purity remains a focus area, as highlighted by searches for "efficient synthesis of CAS 70590-43-1." Analytical techniques such as NMR and HPLC are critical for quality control, ensuring compliance with regulatory standards in pharmaceuticals.

Emerging trends link this compound to green chemistry initiatives. Researchers are investigating solvent-free reactions or biocatalytic routes to produce benzothiazole derivatives sustainably. Such innovations align with global efforts to reduce chemical waste, answering queries like "eco-friendly synthesis of heterocycles." Additionally, computational modeling studies predict its interactions with biological targets, streamlining drug design processes.

In summary, 4,5,6,7-Tetrahydro-1,3-benzothiazol-6-one (CAS No. 70590-43-1) represents a multifaceted compound bridging academia and industry. Its applications span from life sciences to advanced materials, fueled by ongoing research into its properties and synthetic adaptability. As interest in specialty chemicals grows, this compound will likely remain a key subject in scientific literature and patent filings.

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