Cas no 7686-29-5 (Benzenethiol, 2-amino-4-nitro-)

Benzenethiol, 2-amino-4-nitro-, is a nitro-substituted aromatic thiol compound with the molecular formula C?H?N?O?S. This compound features both an amino (-NH?) and a nitro (-NO?) functional group on the benzene ring, alongside a thiol (-SH) group, making it a versatile intermediate in organic synthesis. Its unique structure allows for applications in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of electron-donating (amino) and electron-withdrawing (nitro) groups enhances its reactivity in substitution and coupling reactions. The thiol group further enables its use in metal coordination and surface modification. This compound is valued for its stability and well-defined reactivity profile under controlled conditions.
Benzenethiol, 2-amino-4-nitro- structure
7686-29-5 structure
Product Name:Benzenethiol, 2-amino-4-nitro-
CAS No:7686-29-5
MF:C6H6N2O2S
MW:170.189039707184
MDL:MFCD16769364
CID:537111
PubChem ID:6336400
Update Time:2025-05-21

Benzenethiol, 2-amino-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenethiol, 2-amino-4-nitro-
    • 2-Amino-4-nitrobenzenethiol
    • 2-amino-4-nitro-benzenethiol
    • 2-Amino-4-nitrobenzolthiol
    • 2-amino-4-nitrothiophenol
    • 2-amino-4-nitro-thiophenol
    • 4-Nitro-2-amino-thiophenol
    • AC1O3SJK
    • CTK2G7210
    • SureCN2242020
    • 2-Amino-4-nitrobenzene-1-thiol
    • SCHEMBL2242020
    • DTXSID60422820
    • SLFLKTXBLXAMKI-UHFFFAOYSA-N
    • AKOS011798280
    • 7686-29-5
    • AT19650
    • MDL: MFCD16769364
    • Inchi: 1S/C6H6N2O2S/c7-5-3-4(8(9)10)1-2-6(5)11/h1-3,11H,7H2
    • InChI Key: SLFLKTXBLXAMKI-UHFFFAOYSA-N
    • SMILES: SC1=CC=C(C=C1N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 170.01508
  • Monoisotopic Mass: 170.01499861g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 159
  • 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: 1.7
  • Topological Polar Surface Area: 72.8?2

Experimental Properties

  • PSA: 69.16

Benzenethiol, 2-amino-4-nitro- Pricemore >>

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Additional information on Benzenethiol, 2-amino-4-nitro-

Comprehensive Guide to Benzenethiol, 2-amino-4-nitro- (CAS No. 7686-29-5): Properties, Applications, and Market Insights

Benzenethiol, 2-amino-4-nitro- (CAS No. 7686-29-5) is a specialized aromatic compound widely recognized for its unique chemical properties and versatile applications. This compound, also known as 2-Amino-4-nitrobenzenethiol, belongs to the family of nitro-substituted thiophenols, which are increasingly gaining attention in both industrial and research settings. Its molecular structure, featuring an amino group (-NH2) and a nitro group (-NO2) on a benzene ring, makes it a valuable intermediate in organic synthesis and material science.

The growing interest in Benzenethiol, 2-amino-4-nitro- is driven by its role in the development of advanced materials, including dyes, pigments, and pharmaceutical intermediates. Researchers and manufacturers are particularly intrigued by its potential in creating high-performance polymers and agrochemicals. With the rise of sustainable chemistry, this compound is also being explored for its eco-friendly applications, aligning with global trends toward greener industrial processes. Its CAS number, 7686-29-5, serves as a unique identifier in chemical databases, ensuring accurate sourcing and regulatory compliance.

One of the most frequently asked questions about 2-Amino-4-nitrobenzenethiol revolves around its synthesis and purification methods. The compound is typically synthesized through the nitration of 2-aminobenzenethiol, followed by careful purification to achieve high purity levels. This process is critical for applications requiring stringent quality control, such as pharmaceuticals and specialty chemicals. Another common query concerns its solubility and stability, which are essential for formulation scientists working on new products. Benzenethiol, 2-amino-4-nitro- exhibits moderate solubility in organic solvents like ethanol and acetone, making it suitable for various reaction conditions.

In the pharmaceutical industry, Benzenethiol, 2-amino-4-nitro- is gaining traction as a building block for drug discovery. Its structural motifs are found in several bioactive molecules, including antimicrobial and anti-inflammatory agents. Recent studies highlight its potential in designing novel therapeutics, particularly in targeting resistant bacterial strains. This aligns with the current focus on combating antibiotic resistance, a pressing global health issue. Additionally, its use in diagnostic reagents and imaging agents underscores its versatility in medical applications.

The agrochemical sector also benefits from the unique properties of 2-Amino-4-nitrobenzenethiol. It serves as a key intermediate in the synthesis of herbicides and fungicides, contributing to crop protection solutions. With the increasing demand for sustainable agriculture, researchers are exploring its role in developing next-generation pesticides with reduced environmental impact. This trend resonates with the growing consumer preference for organic and eco-friendly farming practices, making Benzenethiol, 2-amino-4-nitro- a compound of significant interest.

From a market perspective, the demand for Benzenethiol, 2-amino-4-nitro- (CAS No. 7686-29-5) is expected to rise, driven by advancements in material science and pharmaceuticals. Suppliers and distributors are focusing on ensuring a steady supply chain to meet the needs of research institutions and industrial manufacturers. Quality assurance and regulatory compliance remain top priorities, given the compound's specialized applications. As innovation continues, 2-Amino-4-nitrobenzenethiol is poised to play a pivotal role in shaping future technologies and sustainable solutions.

In conclusion, Benzenethiol, 2-amino-4-nitro- stands out as a multifaceted compound with broad applicability across diverse industries. Its chemical properties, coupled with its role in addressing contemporary challenges like antibiotic resistance and sustainable agriculture, make it a subject of ongoing research and development. Whether you're a chemist, a manufacturer, or a researcher, understanding the potential of this compound can open doors to innovative applications and collaborations. Keep an eye on 7686-29-5 as it continues to make waves in the scientific and industrial communities.

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