Cas no 98114-44-4 (2-Benzothiazolamine,6-methyl-5-nitro-)

2-Benzothiazolamine,6-methyl-5-nitro- is a nitro-substituted benzothiazole derivative with potential applications in organic synthesis and specialty chemical research. Its structure, featuring a benzothiazole core with methyl and nitro functional groups, lends itself to reactivity in heterocyclic chemistry, particularly in the development of dyes, pharmaceuticals, and agrochemical intermediates. The nitro group enhances electrophilic properties, making it a useful precursor for further functionalization. The compound's stability under standard conditions and well-defined molecular characteristics ensure consistent performance in synthetic workflows. Researchers value its role in constructing complex heterocyclic frameworks, where precise substitution patterns are critical for desired chemical behavior.
2-Benzothiazolamine,6-methyl-5-nitro- structure
98114-44-4 structure
Product Name:2-Benzothiazolamine,6-methyl-5-nitro-
CAS No:98114-44-4
MF:C8H7N3O2S
MW:209.225079774857
CID:801589
PubChem ID:815520
Update Time:2025-08-02

2-Benzothiazolamine,6-methyl-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazolamine,6-methyl-5-nitro-
    • 2-Benzothiazolamine,6-methyl-5-nitro-(9CI)
    • 6-Methyl-5-nitro-1,3-benzothiazol-2-amine
    • 6-METHYL-5-NITRO-BENZOTHIAZOL-2-YLAMINE
    • 98114-44-4
    • Z275142440
    • AKOS000637842
    • CS-0259550
    • EN300-735934
    • SCHEMBL10598844
    • 6-methyl-5-nitrobenzo[d]thiazol-2-amine
    • MDL: MFCD00689529
    • Inchi: 1S/C8H7N3O2S/c1-4-2-7-5(10-8(9)14-7)3-6(4)11(12)13/h2-3H,1H3,(H2,9,10)
    • InChI Key: UNEAJZHBVAOTDN-UHFFFAOYSA-N
    • SMILES: S1C(N)=NC2C=C(C(C)=CC1=2)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 209.02589765g/mol
  • Monoisotopic Mass: 209.02589765g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 245
  • 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: 2.2
  • Topological Polar Surface Area: 113?2

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Additional information on 2-Benzothiazolamine,6-methyl-5-nitro-

Comprehensive Overview of 2-Benzothiazolamine,6-methyl-5-nitro- (CAS No. 98114-44-4)

2-Benzothiazolamine,6-methyl-5-nitro- (CAS No. 98114-44-4) is a specialized organic compound belonging to the benzothiazole family. This compound has garnered significant attention in recent years due to its unique chemical properties and potential applications in various industries. Researchers and professionals often search for terms like "benzothiazole derivatives", "nitro-substituted benzothiazoles", and "applications of 6-methyl-5-nitro-2-benzothiazolamine", reflecting the growing interest in this compound.

The molecular structure of 2-Benzothiazolamine,6-methyl-5-nitro- features a benzothiazole core with methyl and nitro substituents at specific positions. This configuration contributes to its distinct electronic and steric properties, making it a valuable intermediate in organic synthesis. Recent studies have explored its potential in fields such as material science, pharmaceutical research, and agrochemical development. The compound's versatility has led to increased searches for "synthesis methods for 98114-44-4" and "industrial uses of nitrobenzothiazoles".

In the context of current scientific trends, 2-Benzothiazolamine,6-methyl-5-nitro- has been investigated for its potential role in green chemistry applications. With the global push towards sustainable practices, researchers are particularly interested in how this compound might contribute to eco-friendly catalytic processes or biodegradable material formulations. This aligns with popular search queries such as "sustainable benzothiazole derivatives" and "environmentally friendly nitro compounds".

The analytical characterization of 98114-44-4 typically involves advanced techniques like HPLC, mass spectrometry, and NMR spectroscopy. These methods are crucial for quality control and purity assessment, especially when the compound is used as a precursor in sensitive applications. Professionals often search for "analytical methods for 2-Benzothiazolamine derivatives" and "spectroscopic data of 6-methyl-5-nitro-2-benzothiazolamine", highlighting the need for reliable characterization protocols.

From a commercial perspective, the demand for 2-Benzothiazolamine,6-methyl-5-nitro- has shown steady growth, particularly in regions with strong pharmaceutical and specialty chemical industries. Market analysts frequently track terms like "global benzothiazole market trends" and "suppliers of CAS 98114-44-4", reflecting the compound's economic significance. The development of efficient production methods remains an active area of research, with many seeking information on "cost-effective synthesis of nitro-substituted benzothiazoles".

In pharmaceutical research, the 6-methyl-5-nitro-2-benzothiazolamine scaffold has shown promise as a building block for various bioactive molecules. While not directly therapeutic itself, its structural features make it valuable for designing compounds with potential biological activity. This has led to increased interest in "medicinal chemistry applications of benzothiazole amines" and "drug discovery using nitroheterocycles" among researchers.

Safety considerations for handling 2-Benzothiazolamine,6-methyl-5-nitro- follow standard laboratory protocols for organic compounds. While not classified as hazardous under normal conditions, proper personal protective equipment and ventilation systems are recommended during manipulation. This practical aspect generates searches for "handling guidelines for nitro-substituted heterocycles" and "storage conditions for benzothiazole derivatives".

The future outlook for CAS No. 98114-44-4 appears promising, with ongoing research exploring novel applications in advanced materials and specialty chemicals. As nanotechnology gains momentum, there's growing interest in how benzothiazole derivatives might contribute to nanomaterial development, leading to searches for "benzothiazoles in nanotechnology" and "functional materials from nitroheterocycles".

For researchers seeking detailed technical information, the physicochemical properties of 2-Benzothiazolamine,6-methyl-5-nitro- including its melting point, solubility characteristics, and spectral data are frequently requested. These parameters are essential for proper experimental design and are often searched as "physical properties of 98114-44-4" or "solubility of 6-methyl-5-nitro-2-benzothiazolamine".

In conclusion, 2-Benzothiazolamine,6-methyl-5-nitro- represents an important member of the benzothiazole chemical family with diverse potential applications. Its continued study and development reflect the broader trends in specialty chemicals and functional materials, making it a compound of ongoing interest to both academic and industrial researchers worldwide.

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