Cas no 7499-96-9 (2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide)

2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide is a benzothiazolone derivative characterized by its sulfone functional group. This compound exhibits notable stability and reactivity, making it useful in organic synthesis and industrial applications. Its structure lends itself to potential use as an intermediate in the production of pharmaceuticals, agrochemicals, or specialty chemicals. The butyl substituent enhances lipophilicity, which may improve solubility in organic matrices. The 1,1-dioxide moiety contributes to its electrophilic properties, enabling participation in condensation or nucleophilic substitution reactions. When handled under controlled conditions, it demonstrates consistent performance in synthetic pathways. Proper storage in a cool, dry environment is recommended to maintain its integrity. Further research may explore its utility in catalytic or material science applications.
2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide structure
7499-96-9 structure
Product Name:2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide
CAS No:7499-96-9
MF:C11H13NO3S
MW:239.290821790695
CID:980909
PubChem ID:343662
Update Time:2025-06-14

2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • 2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide
    • 1,2-benzisothiazol-3(2H)-one, 2-butyl-, 1,1-dioxide
    • 2-butyl-1,1-dioxo-1,2-benzothiazol-3-one
    • Butylbenisothiazolene
    • 2-butyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
    • AC1L7YU5
    • butyl saccharin
    • CBMicro_023647
    • CCG-10757
    • CHEMBL79624
    • N-(n-butyl)saccharin
    • Oprea1_518612
    • STL286883
    • SureCN7903703
    • N-Butylsaccharin
    • NSC 400074
    • 噻酮
    • SCHEMBL7903703
    • AKOS001569792
    • DTXSID90321953
    • SR-01000104132
    • SR-01000104132-1
    • 2-n-Butyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
    • BDBM50242148
    • EU-0078555
    • 7499-96-9
    • 2-Butylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide
    • BIM-0023395.P001
    • A901424
    • NSC-400074
    • 2-Butyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
    • NSC400074
    • G64697
    • 2-BUTYL-1??,2-BENZOTHIAZOLE-1,1,3-TRIONE
    • Inchi: 1S/C11H13NO3S/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)16(12,14)15/h4-7H,2-3,8H2,1H3
    • InChI Key: OVHVVWXDKDMZQA-UHFFFAOYSA-N
    • SMILES: S1(C2C=CC=CC=2C(N1CCCC)=O)(=O)=O

Computed Properties

  • Exact Mass: 239.06169
  • Monoisotopic Mass: 239.06161445g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 371
  • 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: 1.8
  • Topological Polar Surface Area: 62.8?2

Experimental Properties

  • Density: 1.305±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 41-44 oC
  • Solubility: Very slightly soluble (0.2 g/l) (25 o C),
  • PSA: 54.45
  • LogP: 2.64990

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2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide Suppliers

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(CAS:7499-96-9)Butylbenisothiazolene
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Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:43
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Additional information on 2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide

Comprehensive Overview of 2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS No. 7499-96-9)

The compound 2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide (CAS No. 7499-96-9) is a specialized organic molecule with a unique benzothiazole backbone. This structure is characterized by the presence of a butyl group at the 2-position and a 1,1-dioxide moiety, which significantly influences its chemical and physical properties. Researchers and industry professionals often search for "benzothiazole derivatives" or "sulfur-containing heterocycles" due to their broad applications in pharmaceuticals, agrochemicals, and material science. The growing interest in sustainable chemistry and green synthesis has also put spotlight on such compounds, as they can be tailored for eco-friendly processes.

One of the most frequently asked questions about 2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide revolves around its synthesis and reactivity. The compound is typically synthesized via the oxidation of corresponding benzothiazole precursors, a process that aligns with modern trends in "catalytic oxidation" and "atom-efficient reactions." Its stability under various conditions makes it a candidate for studies in "high-performance materials" and "functional additives." Additionally, its potential role in "bioactive molecule design" is a hot topic, as researchers explore its interactions with biological targets.

From an industrial perspective, 2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide is often discussed in the context of "specialty chemicals" and "fine chemical manufacturing." Its applications range from serving as an intermediate in organic synthesis to being a component in "advanced material formulations." The compound's solubility profile and thermal stability are key factors driving its adoption in niche markets. For instance, queries like "solubility of benzothiazole derivatives" or "thermal degradation of sulfur heterocycles" reflect the practical concerns of end-users.

Environmental and regulatory considerations are also critical when discussing 7499-96-9. With increasing emphasis on "REACH compliance" and "chemical safety assessments," this compound has been evaluated for its ecological impact. Its biodegradability and toxicity profile are often compared to other "benzothiazole-based compounds," making it a subject of interest for "green chemistry initiatives." Furthermore, its potential use in "circular economy models" is being explored, particularly in recycling and waste reduction strategies.

In the realm of analytical chemistry, 2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide poses intriguing challenges and opportunities. Techniques such as "HPLC analysis of heterocycles" and "mass spectrometry characterization" are frequently employed to study its behavior. The compound's distinct spectral signatures, including UV-Vis and NMR spectra, are valuable for quality control in industrial settings. Searches related to "analytical methods for sulfur compounds" often lead to discussions about this molecule.

Looking ahead, the future of 2-butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide is intertwined with advancements in "computational chemistry" and "molecular modeling." Predictive tools are being used to explore new derivatives with enhanced properties, catering to demands in "smart materials" and "drug discovery." As the scientific community continues to investigate its potential, this compound remains a fascinating subject for both academic and industrial research.

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:7499-96-9)Butylbenisothiazolene
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Purity:99%
Quantity:25KG,200KG,1000KG
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