Cas no 7405-23-4 (1,3-benzothiazol-4-ol)

1,3-Benzothiazol-4-ol is a heterocyclic compound featuring a benzothiazole core with a hydroxyl substituent at the 4-position. This structure imparts unique chemical properties, making it valuable in pharmaceutical and agrochemical research. Its aromatic heterocycle and hydroxyl group enhance reactivity, enabling applications as an intermediate in synthesizing biologically active molecules. The compound exhibits potential as a building block for antimicrobial and antifungal agents due to its ability to interact with biological targets. Its stability under standard conditions and compatibility with various synthetic routes further underscore its utility in organic synthesis. Researchers favor 1,3-benzothiazol-4-ol for its versatility in developing novel therapeutic and agrochemical compounds.
1,3-benzothiazol-4-ol structure
1,3-benzothiazol-4-ol structure
Product Name:1,3-benzothiazol-4-ol
CAS No:7405-23-4
MF:C7H5NOS
MW:151.185700178146
MDL:MFCD11046398
CID:568889
PubChem ID:81901
Update Time:2025-05-23

1,3-benzothiazol-4-ol Chemical and Physical Properties

Names and Identifiers

    • Benzo[d]thiazol-4-ol
    • 1,3-benzothiazol-4-ol
    • 4-Benzothiazolol
    • 4-Hydroxy-benzothiazol
    • 4-Hydroxybenzothiazole
    • 4-Hydroxybenzthiazol
    • benzothiazol-4-ol
    • NSC 403244
    • Benzothiazole-4-ol
    • zlchem 919
    • 4hydroxy benzothiazole
    • PubChem15773
    • 4-hydroxy benzothiazole
    • 4-Hydroxy-benzothiazole
    • BEN048
    • ZLD0382
    • NZFKDDMHHUEVPI-UHFFFAOYSA-N
    • NSC403244
    • FCH887477
    • AM86176
    • CS-W0
    • CHEMBL1269476
    • A838001
    • 9P649L66JX
    • DTXSID60224947
    • 7405-23-4
    • MFCD11046398
    • SCHEMBL2088378
    • CS-W008747
    • FS-3633
    • AKOS006306339
    • NSC-403244
    • SY107030
    • FT-0647259
    • 4-Hydroxybenzothiazole; NSC 403244;Benzo[d]thiazol-4-ol
    • DB-049996
    • DTXCID90147438
    • benzothiazole, 4-hydroxy-
    • 4-Hydroxybenzothiazole;Benzo[d]thiazol-4-ol
    • MDL: MFCD11046398
    • Inchi: 1S/C7H5NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h1-4,9H
    • InChI Key: NZFKDDMHHUEVPI-UHFFFAOYSA-N
    • SMILES: S1C=NC2C(=CC=CC1=2)O

Computed Properties

  • Exact Mass: 151.00900
  • Monoisotopic Mass: 151.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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
  • Topological Polar Surface Area: 61.4
  • XLogP3: 2

Experimental Properties

  • Density: 1.444
  • Melting Point: 143 oC
  • Boiling Point: 312 oC
  • Flash Point: 142 oC
  • PSA: 61.36000
  • LogP: 2.00190

1,3-benzothiazol-4-ol Security Information

1,3-benzothiazol-4-ol Customs Data

  • HS CODE:2934200090
  • Customs Data:

    China Customs Code:

    2934200090

    Overview:

    2934200090. Other compounds containing a benzothiazole ring. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1,3-benzothiazol-4-ol Related Literature

Additional information on 1,3-benzothiazol-4-ol

1,3-Benzothiazol-4-ol: A Comprehensive Overview

1,3-Benzothiazol-4-ol, also known by its CAS number CAS No. 7405-23-4, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound belongs to the class of benzothiazoles, which are heterocyclic aromatic compounds with a sulfur atom in the ring. The presence of the hydroxyl group at the 4-position of the benzothiazole ring imparts unique chemical and physical properties to this molecule, making it a valuable compound in both academic research and industrial applications.

The synthesis of 1,3-benzothiazol-4-ol can be achieved through several methods, including the condensation of o-aminothiophenol with aldehydes or ketones under specific reaction conditions. Recent advancements in synthetic chemistry have enabled more efficient and environmentally friendly routes for the preparation of this compound. For instance, researchers have explored the use of microwave-assisted synthesis to enhance reaction rates and yields while minimizing energy consumption. These developments underscore the growing interest in sustainable chemical processes.

1,3-Benzothiazol-4-ol exhibits interesting photophysical properties, making it a promising candidate for applications in optoelectronics and photonics. Studies have shown that this compound can act as a photosensitizer in photodynamic therapy due to its ability to absorb light in the visible region and generate reactive oxygen species. This property has garnered attention in the field of biomedical research, where it is being investigated for potential use in cancer treatment.

In materials science, 1,3-benzothiazol-4-ol has been utilized as a building block for constructing functional materials such as coordination polymers and metal-organic frameworks (MOFs). These materials exhibit high porosity and surface area, making them suitable for gas storage and catalysis applications. Recent research has focused on incorporating this compound into MOFs to enhance their stability and functionality under harsh conditions.

The biological activity of 1,3-benzothiazol-4-ol has also been a topic of interest. Preclinical studies have demonstrated its potential as an anti-inflammatory and antioxidant agent. Researchers have explored its mechanism of action and found that it interacts with key cellular pathways involved in inflammation and oxidative stress. These findings open up new avenues for drug development targeting chronic inflammatory diseases.

In conclusion, 1,3-benzothiazol-4-ol, with its unique chemical structure and diverse functional properties, continues to be a subject of intense research across multiple disciplines. Its applications span from materials science to biomedicine, reflecting its versatility as a chemical building block. As advancements in synthetic methods and material characterization techniques continue to evolve, the potential uses of this compound are expected to expand further.

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