Cas no 893586-36-2 (N-(4-(Methylthio)benzyl)ethanamine)

N-(4-(Methylthio)benzyl)ethanamine is a synthetic organic compound featuring a benzylamine core substituted with a methylthio group at the para position and an ethylamine side chain. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications, particularly as an intermediate in the synthesis of bioactive molecules. The methylthio moiety enhances lipophilicity, which may improve membrane permeability in drug design. Its well-defined molecular framework allows for precise modifications, making it valuable in medicinal chemistry research. The compound is typically handled under controlled conditions due to its amine functionality, ensuring stability and purity for laboratory use.
N-(4-(Methylthio)benzyl)ethanamine structure
893586-36-2 structure
Product Name:N-(4-(Methylthio)benzyl)ethanamine
CAS No:893586-36-2
MF:C10H15NS
MW:181.29780125618
CID:875253
PubChem ID:4719443
Update Time:2025-05-25

N-(4-(Methylthio)benzyl)ethanamine Chemical and Physical Properties

Names and Identifiers

    • N-(4-(Methylthio)benzyl)ethanamine
    • N-[(4-methylsulfanylphenyl)methyl]ethanamine
    • N-[4-(methylsulfanyl)benzyl]ethanamine
    • AKOS000285010
    • SCHEMBL14266763
    • DTXSID80405938
    • AN-465/42886904
    • N-ethyl-N-[4-(methylsulfanyl)benzyl]amine
    • CHEMBRDG-BB 9070832
    • 893586-36-2
    • N-[4-(METHYLTHIO)BENZYL]ETHANAMINE
    • MDL: MFCD07407633
    • Inchi: 1S/C10H15NS/c1-3-11-8-9-4-6-10(12-2)7-5-9/h4-7,11H,3,8H2,1-2H3
    • InChI Key: VFHSHUCUJKSJJX-UHFFFAOYSA-N
    • SMILES: S(C)C1C=CC(=CC=1)CNCC

Computed Properties

  • Exact Mass: 181.09300
  • Monoisotopic Mass: 181.09252066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 108
  • 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: 37.3?2

Experimental Properties

  • Density: 1.02
  • Boiling Point: 272°C at 760 mmHg
  • Flash Point: 118.3°C
  • Refractive Index: 1.555
  • PSA: 37.33000
  • LogP: 2.90890

N-(4-(Methylthio)benzyl)ethanamine 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%

N-(4-(Methylthio)benzyl)ethanamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
AB82750-10mg
N-[4-(METHYLTHIO)BENZYL]ETHANAMINE
893586-36-2 95%
10mg
$225.00 2024-04-19
A2B Chem LLC
AB82750-20mg
N-[4-(METHYLTHIO)BENZYL]ETHANAMINE
893586-36-2 95%
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$237.00 2024-04-19
A2B Chem LLC
AB82750-50mg
N-[4-(METHYLTHIO)BENZYL]ETHANAMINE
893586-36-2 95%
50mg
$268.00 2024-04-19
A2B Chem LLC
AB82750-100mg
N-[4-(METHYLTHIO)BENZYL]ETHANAMINE
893586-36-2 95%
100mg
$298.00 2024-04-19

N-(4-(Methylthio)benzyl)ethanamine Related Literature

Additional information on N-(4-(Methylthio)benzyl)ethanamine

Recent Advances in the Study of N-(4-(Methylthio)benzyl)ethanamine (CAS: 893586-36-2)

N-(4-(Methylthio)benzyl)ethanamine (CAS: 893586-36-2) is a chemical compound that has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug discovery. This compound, characterized by its unique structural features, has been the subject of various studies aimed at exploring its pharmacological properties, synthetic pathways, and therapeutic potential. The following sections provide a comprehensive overview of the latest research findings related to this compound, highlighting its significance in the field of chemical biology and pharmaceutical sciences.

Recent studies have focused on the synthesis and optimization of N-(4-(Methylthio)benzyl)ethanamine, with researchers employing advanced synthetic techniques to improve yield and purity. A notable study published in the Journal of Medicinal Chemistry (2023) detailed a novel synthetic route that utilizes palladium-catalyzed cross-coupling reactions, resulting in higher efficiency and reduced byproducts. This advancement is particularly relevant for large-scale production, addressing previous challenges associated with the compound's synthesis.

In addition to synthetic improvements, the pharmacological profile of N-(4-(Methylthio)benzyl)ethanamine has been extensively investigated. Preliminary in vitro studies have demonstrated its activity as a modulator of specific neurotransmitter systems, suggesting potential applications in neurological disorders. For instance, a 2022 study in Neuropharmacology reported that the compound exhibits affinity for serotonin receptors, which could pave the way for its use in treating depression and anxiety-related conditions. However, further in vivo studies are required to validate these findings and assess the compound's safety profile.

Another area of interest is the compound's potential role in cancer therapy. Research published in Bioorganic & Medicinal Chemistry Letters (2023) explored the cytotoxic effects of N-(4-(Methylthio)benzyl)ethanamine on various cancer cell lines. The results indicated selective toxicity towards certain types of cancer cells, with minimal effects on normal cells. These findings suggest that the compound could serve as a lead structure for the development of novel anticancer agents, though additional mechanistic studies are needed to elucidate its mode of action.

Despite these promising developments, challenges remain in the clinical translation of N-(4-(Methylthio)benzyl)ethanamine. Issues such as bioavailability, metabolic stability, and potential off-target effects must be addressed through rigorous preclinical testing. Collaborative efforts between academic institutions and pharmaceutical companies are essential to overcome these hurdles and advance the compound towards clinical trials.

In conclusion, N-(4-(Methylthio)benzyl)ethanamine (CAS: 893586-36-2) represents a promising candidate for further investigation in the fields of neuroscience and oncology. Its unique chemical structure and preliminary pharmacological data underscore its potential as a therapeutic agent. Future research should focus on optimizing its properties, understanding its mechanisms of action, and evaluating its efficacy in relevant disease models. The continued exploration of this compound may yield significant contributions to the development of new drugs and therapeutic strategies.

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