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Atomfair Benzenamine, 3-(methylthio)-N-phenyl- C13H13NS CAS 13313-45-6

3-Methylsulfanyl-N-phenylaniline (CAS No. 13313-45-6) is a high-purity organic compound with the molecular formula C13H13NS . This aromatic amine derivative features a methylthio (-SMe) substituent at the 3-position of the aniline ring, making it a valuable intermediate in synthetic organic chemistry and materials science. With a molecular weight of 215.31 g/mol, it is a yellow to light brown crystalline solid under standard conditions. Its unique structure enables applications in pharmaceuticals, agrochemicals, and specialty polymers. This product is rigorously tested for purity (typically ≥95% by GC/HPLC) and is supplied with comprehensive analytical data, including1H NMR and FT-IR spectra. Suitable for research and…

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Description

3-Methylsulfanyl-N-phenylaniline (CAS No. 13313-45-6) is a high-purity organic compound with the molecular formula C13H13NS. This aromatic amine derivative features a methylthio (-SMe) substituent at the 3-position of the aniline ring, making it a valuable intermediate in synthetic organic chemistry and materials science. With a molecular weight of 215.31 g/mol, it is a yellow to light brown crystalline solid under standard conditions. Its unique structure enables applications in pharmaceuticals, agrochemicals, and specialty polymers. This product is rigorously tested for purity (typically ≥95% by GC/HPLC) and is supplied with comprehensive analytical data, including 1H NMR and FT-IR spectra. Suitable for research and industrial use, it is packaged under inert gas to ensure stability.

Properties

  • CAS Number: 13313-45-6
  • Complexity: 177
  • IUPAC Name: 3-methylsulfanyl-N-phenyl-aniline
  • InChI: InChI=1S/C13H13NS/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3
  • InChI Key: NGTRZJDYCCOXBA-UHFFFAOYSA-N
  • Exact Mass: 215.07687059
  • Molecular Formula: C13H13NS
  • Molecular Weight: 215.32
  • SMILES: CSC1=CC=CC(=C1)NC2=CC=CC=C2
  • Topological: 37.3
  • Monoisotopic Mass: 215.07687059
  • Synonyms: Benzenamine, 3-(methylthio)-N-phenyl-, EINECS 236-342-4, 3-(Methylthio)-N-phenylaniline, 13313-45-6, 3-methylsulfanyl-N-phenylaniline, 3-(Methylthio)diphenylamine, BX9YL26URT, 3-(Methylthio)phenylaniline, SCHEMBL2279440, SCHEMBL9187556, DTXSID7065411, NGTRZJDYCCOXBA-UHFFFAOYSA-N, 3-(Methylthio)-N-phenylbenzenamine, AKOS016005590, DB-062955, NS00024267

Application

3-Methylsulfanyl-N-phenylaniline serves as a key building block in the synthesis of heterocyclic compounds and functionalized anilines. It is utilized in pharmaceutical research for developing bioactive molecules, particularly those targeting CNS disorders. The compound’s electron-rich aromatic system makes it suitable for metal-catalyzed cross-coupling reactions in materials science. Additionally, it finds use in agrochemical formulations as a precursor for sulfur-containing pesticides.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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