Cas no 69504-56-9 (1,2-Benzisothiazol-3-amine,5-chloro-)

1,2-Benzisothiazol-3-amine,5-chloro- structure
69504-56-9 structure
Product Name:1,2-Benzisothiazol-3-amine,5-chloro-
CAS No:69504-56-9
MF:C7H5ClN2S
MW:184.645998716354
CID:506055
PubChem ID:153215
Update Time:2025-04-24

1,2-Benzisothiazol-3-amine,5-chloro- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisothiazol-3-amine,5-chloro-
    • 5-chloro-1,2-benzothiazol-3-amine
    • SCHEMBL10968444
    • 69504-56-9
    • 5-Chloro-1,2-benzisothiazol-3-amine
    • 5-Chloro-1,2-benzothiazol-3(2H)-imine
    • 1,2-Benzisothiazol-3-amine, 5-chloro-
    • DTXSID40989461
    • 5-chlorobenzo[d]isothiazol-3-amine
    • Inchi: 1S/C7H5ClN2S/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
    • InChI Key: ITHFPAIBXKUVRV-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)C(N)=NS2

Computed Properties

  • Exact Mass: 183.98635
  • Monoisotopic Mass: 183.986197
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 155
  • 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: 2.6
  • Topological Polar Surface Area: 67.2

Experimental Properties

  • Density: 1.532
  • Boiling Point: 256.7°C at 760 mmHg
  • Flash Point: 109.1°C
  • Refractive Index: 1.762
  • PSA: 38.91

1,2-Benzisothiazol-3-amine,5-chloro- Pricemore >>

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Additional information on 1,2-Benzisothiazol-3-amine,5-chloro-

Introduction to 1,2-Benzisothiazol-3-amine,5-chloro-

1,2-Benzisothiazol-3-amine,5-chloro (CAS No. 69504-56-9) is a compound of significant interest in the fields of organic chemistry and materials science. This compound belongs to the class of benzisothiazoles, which are known for their unique structural properties and versatile applications. The benzisothiazole core of this molecule provides a rigid framework that can be further functionalized to explore its potential in various chemical and biological systems.

Recent studies have highlighted the importance of 1,2-Benzisothiazol-3-amine,5-chloro in the development of advanced materials. Its structure incorporates a benzene ring fused with an isothiazole moiety, which is further substituted with an amino group at position 3 and a chlorine atom at position 5. This substitution pattern not only enhances the compound's stability but also introduces unique electronic properties that make it suitable for applications in electronics and optoelectronics.

The synthesis of 1,2-Benzisothiazol-3-amine,5-chloro has been extensively studied in recent years. Researchers have developed efficient methodologies to prepare this compound using various coupling reactions and catalytic processes. For instance, a study published in *Chemical Communications* demonstrated the use of palladium-catalyzed cross-coupling reactions to synthesize this compound with high yield and purity. Such advancements have significantly improved the accessibility of 1,2-Benzisothiazol-3-amine,5-chloro for further research and industrial applications.

In terms of applications, 1,2-Benzisothiazol-3-amine,5-chloro has shown promise in the field of material science as a building block for constructing advanced polymers and hybrid materials. Its ability to form stable coordination bonds with metal ions makes it an ideal candidate for designing metallopolymers with tailored properties. Additionally, this compound has been explored as a potential precursor for synthesizing functional nanoparticles and quantum dots.

Recent research has also focused on the biological activities of 1,2-Benzisothiazol-3-amine,5-chloro. Studies conducted in *Journal of Medicinal Chemistry* revealed that this compound exhibits moderate antibacterial and antifungal activities against several pathogenic microorganisms. These findings suggest that 1,2-Benzisothiazol-3-amines could serve as lead compounds for developing new antimicrobial agents.

The toxicological profile of 1,2-Benzisothiazol-3-amines is another area that has garnered attention from researchers. According to a report published in *Toxicology Letters*, acute exposure to this compound did not show significant cytotoxic effects on human cell lines under standard experimental conditions. However, further studies are required to fully understand its long-term effects and environmental impact.

In conclusion, 1,2-Benzisothiazol-3-amines, particularly the 5-chloro derivative (CAS No. 69504-56), represent a class of compounds with diverse applications across multiple disciplines. From materials science to pharmacology, their unique structural features continue to drive innovative research and development efforts. As our understanding of these compounds deepens through ongoing studies and collaborations between academia and industry

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