Cas no 13920-91-7 (2-(Ethylsulfanyl)aniline)

2-(Ethylsulfanyl)aniline structure
2-(Ethylsulfanyl)aniline structure
Product Name:2-(Ethylsulfanyl)aniline
CAS No:13920-91-7
MF:C8H11NS
MW:153.24464058876
MDL:MFCD08691983
CID:1086906
PubChem ID:10149009
Update Time:2025-09-27

2-(Ethylsulfanyl)aniline Chemical and Physical Properties

Names and Identifiers

    • 2-(Ethylthio)aniline
    • 2-(Ethylsulfanyl)aniline
    • 2-(ethylthio)aniline(SALTDATA: FREE)
    • 2-ethylsulfanylaniline
    • 2-aminophenyl ethyl sulphide
    • 2-amino-S-ethylthiophenol
    • 2-ethylsulfanylphenylamine
    • o-aminophenyl ethyl sulfide
    • UKRORGSYN-BB BBV-090017
    • 2-ethylthioaniline
    • Benzenamine, 2-(ethylthio)-
    • OXFMPJRLJLBBRQ-UHFFFAOYSA-N
    • STK869043
    • BBL003593
    • AK111932
    • Z1217910514
    • MFCD08691983
    • AKOS000195455
    • 13920-91-7
    • G29192
    • AS-59012
    • SY173893
    • Z316174690
    • J-007250
    • DTXSID10436139
    • SCHEMBL2857496
    • EN300-49598
    • MDL: MFCD08691983
    • Inchi: 1S/C8H11NS/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
    • InChI Key: OXFMPJRLJLBBRQ-UHFFFAOYSA-N
    • SMILES: S(CC)C1C=CC=CC=1N

Computed Properties

  • Exact Mass: 153.06100
  • Monoisotopic Mass: 153.06122053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 95.3
  • 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: 51.3
  • XLogP3: 2.1

Experimental Properties

  • PSA: 51.32000
  • LogP: 2.96200

2-(Ethylsulfanyl)aniline Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(Ethylsulfanyl)aniline Pricemore >>

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2-(Ethylsulfanyl)aniline Production Method

Additional information on 2-(Ethylsulfanyl)aniline

Professional Introduction to 2-(Ethylthio)aniline (CAS No. 13920-91-7)

2-(Ethylthio)aniline, with the chemical formula C8H11NS, is a significant compound in the field of organic chemistry and pharmaceutical research. Its CAS number, CAS No. 13920-91-7, uniquely identifies it in scientific literature and databases. This compound has garnered attention due to its versatile applications in synthesizing various pharmacologically active molecules. The ethylthio group attached to the aniline core introduces unique reactivity and binding properties, making it a valuable intermediate in drug development.

The structural characteristics of 2-(ethylthio)aniline contribute to its utility in medicinal chemistry. The presence of both aromatic and sulfur-containing moieties allows for diverse chemical modifications, enabling the design of molecules with tailored biological activities. Recent studies have highlighted its role in the synthesis of novel antimicrobial agents, where the ethylthio group enhances interaction with bacterial cell membranes, leading to improved efficacy.

In the realm of pharmaceutical innovation, 2-(ethylthio)aniline has been explored as a precursor for developing treatments against neurological disorders. Research indicates that derivatives of this compound exhibit potential neuroprotective properties by modulating neurotransmitter pathways. The sulfur atom in the ethylthio group facilitates interactions with specific enzymes and receptors, which are crucial for maintaining neuronal health. This discovery has spurred further investigation into its potential as a lead compound for therapies targeting neurodegenerative diseases.

The compound's reactivity also makes it a valuable tool in synthetic organic chemistry. It participates in various coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal for constructing complex molecular architectures. These reactions enable the formation of biaryl systems, which are prevalent in many bioactive molecules. The ability to seamlessly integrate 2-(ethylthio)aniline into larger frameworks underscores its importance as a building block in medicinal chemistry.

Advances in computational chemistry have further enhanced the understanding of 2-(ethylthio)aniline's properties. Molecular modeling studies have revealed insights into its binding affinity and interaction patterns with biological targets. These simulations have guided the optimization of analogs with improved pharmacokinetic profiles, reducing off-target effects while maintaining therapeutic efficacy. Such computational approaches are becoming increasingly integral to drug discovery pipelines, streamlining the identification of promising candidates.

The synthesis of 2-(ethylthio)aniline can be achieved through multiple routes, each offering distinct advantages depending on scalability and purity requirements. Traditional methods involve nucleophilic substitution reactions on aniline derivatives, while modern techniques employ transition metal-catalyzed processes for higher yields and selectivity. Recent innovations in green chemistry have also focused on developing eco-friendly synthetic pathways, minimizing waste and energy consumption without compromising product quality.

In conclusion, 2-(Ethylthio)aniline (CAS No. 13920-91-7) is a multifaceted compound with significant implications in pharmaceutical research and industrial applications. Its unique structural features enable diverse functionalization, making it a cornerstone in the development of novel therapeutic agents. As research continues to uncover new applications and synthetic strategies, this compound remains at the forefront of chemical innovation, driving advancements across multiple scientific disciplines.

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