Cas no 16463-18-6 (4-(tert-butylsulfanyl)aniline)

4-(tert-butylsulfanyl)aniline structure
4-(tert-butylsulfanyl)aniline structure
Product Name:4-(tert-butylsulfanyl)aniline
CAS No:16463-18-6
MF:C10H15NS
MW:181.29780125618
CID:1344801
PubChem ID:10910177
Update Time:2025-04-24

4-(tert-butylsulfanyl)aniline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 4-[(1,1-dimethylethyl)thio]-
    • 4-[(1,1-dimethylethyl)sulfanyl]benzene-1-amine
    • 4-tert-butylsulfanylaniline
    • 4-(tert-butylsulfanyl)aniline
    • 4-(tert-butylthio)benzenamine
    • CS-0216997
    • SCHEMBL3046643
    • 4-(t-butylmercapto)aniline
    • RIVJAEWJKBJWRF-UHFFFAOYSA-N
    • aniline, 4-tert-butylthio-
    • 4-(tert-Butylthio)aniline
    • AT20975
    • AKOS000220051
    • DB-212419
    • EN300-65584
    • 4-tert-butylthioaniline
    • 16463-18-6
    • Z332377642
    • Inchi: 1S/C10H15NS/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,11H2,1-3H3
    • InChI Key: RIVJAEWJKBJWRF-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)N)C(C)(C)C

Computed Properties

  • Exact Mass: 181.09265
  • Monoisotopic Mass: 181.09252066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 131
  • 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: 2.7
  • Topological Polar Surface Area: 51.3?2

Experimental Properties

  • PSA: 26.02

4-(tert-butylsulfanyl)aniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$ 50.00 2022-06-03
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Additional information on 4-(tert-butylsulfanyl)aniline

Benzenamine, 4-[(1,1-dimethylethyl)thio]-: A Comprehensive Overview

Benzenamine, 4-[(1,1-dimethylethyl)thio]- is a unique compound that has garnered significant attention in the field of biopharmaceuticals. This compound, also known by its CAS registry number 16463-18-6, belongs to a class of compounds that exhibit diverse pharmacological properties. Its structure, which features a benzene ring substituted with an amino group and a sulfur-containing side chain, makes it a subject of interest for researchers exploring sulfur-based bioactive molecules.

The compound's name reflects its structural composition: "Benzenamine" indicates the presence of an amino group attached to a benzene ring, while "4-[(1,1-dimethylethyl)thio]" specifies the position and nature of the substituent on the aromatic ring. This substituent, 1,1-dimethylethyl, is a branched alkyl group that adds complexity to the molecule's pharmacokinetics and bioavailability.

Recent studies have highlighted the potential of sulfur-containing aromatic compounds in various therapeutic areas, including antimicrobial, anti-inflammatory, and cancer chemotherapeutic applications. Benzenamine, 4-[(1,1-dimethylethyl)thio]- is no exception, as it has shown promising activity in preclinical models of disease states.

The synthesis of this compound involves a multi-step process that includes nucleophilic substitution and coupling reactions. Its chemical stability and ease of synthesis make it an attractive candidate for further drug development. Researchers have also explored thephototoxicity and metabolic stability of this compound, which are critical factors in determining its suitability as a pharmaceutical agent.

One of the most exciting developments involving Benzenamine, 4-[(1,1-dimethylethyl)thio]- is its potential application in cancer therapy. Preclinical studies have demonstrated that this compound can induce apoptosis in various cancer cell lines, making it a valuable tool in the oncology research domain. Additionally, its ability to modulate cellular signaling pathways has opened up new avenues for exploring its role in inflammatory diseases.

In terms of pharmacokinetics, Benzenamine, 4-[(1,1-dimethylethyl)thio]- exhibits moderate solubility and permeability, which are key determinants of its bioavailability. Efforts to optimize these properties through structural modifications have yielded promising results, further solidifying its potential as a lead compound in drug discovery.

The toxicological profile of this compound has also been extensively studied. While it exhibits minimal acute toxicity in animal models, chronic exposure studies are still underway to fully characterize its safety margins. These findings will be crucial for advancing its development as a clinical candidate.

In conclusion, Benzenamine, 4-[(1,1-dimethylethyl)thio]- represents an intriguing compound with a wide range of applications in the pharmaceutical industry. Its unique structural features, coupled with its demonstrated biological activity, make it a valuable asset for researchers and drug developers alike. As further studies continue to unravel its full potential, this compound is poised to play a significant role in the advancement of personalized medicine.

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