Cas no 66608-52-4 (4-(Propylthio)-1,2-benzenediamine)

4-(Propylthio)-1,2-benzenediamine is a sulfur-containing aromatic diamine compound with the molecular formula C9H14N2S. This derivative of 1,2-benzenediamine features a propylthio substituent at the 4-position, enhancing its reactivity and utility in organic synthesis. The compound is particularly valuable as an intermediate in the preparation of heterocyclic compounds, dyes, and pharmaceuticals, where its diamine functionality allows for further functionalization. The propylthio group contributes to improved solubility in organic solvents, facilitating its use in various reaction conditions. Its stability under controlled environments makes it suitable for applications requiring precise chemical modifications. Proper handling is advised due to potential sensitivity to oxidation.
4-(Propylthio)-1,2-benzenediamine structure
66608-52-4 structure
Product Name:4-(Propylthio)-1,2-benzenediamine
CAS No:66608-52-4
MF:C9H14N2S
MW:182.285860538483
MDL:MFCD02093083
CID:501911
PubChem ID:3017084
Update Time:2025-06-08

4-(Propylthio)-1,2-benzenediamine Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediamine,4-(propylthio)-
    • 4-(propylthio)-1,2-Benzenediamine
    • 4-propylsulfanylbenzene-1,2-diamine
    • 4-PROPYLTHIO-1,2-PHENYLENEDIAMINE
    • 4-(propylthio)-1,2-phenylenediamine
    • 4-n-propylthio-o-phenylenediamine
    • 4-propylthio-o-phenylenediamine
    • AC1MI44P
    • AG-G-51320
    • CTK5C4951
    • KB-40360
    • SureCN8512890
    • 4-Propylsulfanyl-benzene-1,2-diamine
    • DTXSID70388504
    • 4-(Propylthio)benzene-1,2-diamine
    • SCHEMBL8512890
    • SB38207
    • 4-(propylsulfanyl)benzene-1,2-diamine
    • Febuxosta
    • AKOS006241624
    • 66608-52-4
    • 1,2-Benzenediamine, 4-(propylthio)-
    • CS-0454739
    • YXXYBJDTATZCOJ-UHFFFAOYSA-N
    • FT-0692349
    • G78499
    • 4-(Propylthio)-1,2-phenylenediamine; 4-Propylthio-o-phenylenediamine;
    • 4-(Propylthio)-1,2-benzenediamine
    • MDL： MFCD02093083
    • Inchi： 1S/C9H14N2S/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6H,2,5,10-11H2,1H3
    • InChI Key： YXXYBJDTATZCOJ-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(=C(C=1)N)N)CCC

Computed Properties

  • Exact Mass: 182.08792
  • Monoisotopic Mass: 182.088
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 130
  • 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: 2.1
  • Topological Polar Surface Area: 77.3A^2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 352.3±27.0 °C at 760 mmHg
  • Flash Point: 166.8±23.7 °C
  • PSA: 52.04
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

4-(Propylthio)-1,2-benzenediamine Security Information

4-(Propylthio)-1,2-benzenediamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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4-(Propylthio)-1,2-phenylenediamine
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JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
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P838470-1000mg
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eNovation Chemicals LLC
Y1122531-500mg
4-Propylsulfanyl-benzene-1,2-diamine
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eNovation Chemicals LLC
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4-(Propylthio)-1,2-benzenediamine Related Literature

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Additional information on 4-(Propylthio)-1,2-benzenediamine

Research Brief on 4-(Propylthio)-1,2-benzenediamine (CAS: 66608-52-4): Recent Advances and Applications

4-(Propylthio)-1,2-benzenediamine (CAS: 66608-52-4) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. Recent studies have explored its potential as a versatile intermediate in the synthesis of bioactive molecules, particularly in the development of novel therapeutic agents. This research brief aims to summarize the latest findings related to this compound, focusing on its synthesis, biological activity, and potential applications in drug discovery.

A study published in the Journal of Medicinal Chemistry (2023) highlighted the role of 4-(Propylthio)-1,2-benzenediamine as a key precursor in the synthesis of benzimidazole derivatives. These derivatives exhibit potent antimicrobial and anticancer activities, making them promising candidates for further development. The study employed a combination of computational modeling and in vitro assays to elucidate the structure-activity relationship (SAR) of these compounds, revealing that the propylthio moiety significantly enhances their binding affinity to target proteins.

Another recent investigation, reported in Bioorganic & Medicinal Chemistry Letters (2024), explored the antioxidant properties of 4-(Propylthio)-1,2-benzenediamine. The researchers demonstrated that this compound can effectively scavenge reactive oxygen species (ROS) and protect cells from oxidative stress. This finding suggests potential applications in the treatment of oxidative stress-related diseases, such as neurodegenerative disorders and cardiovascular conditions. The study also noted the compound's favorable pharmacokinetic profile, including good oral bioavailability and low toxicity.

In addition to its therapeutic potential, 4-(Propylthio)-1,2-benzenediamine has been investigated for its role in material science. A 2023 study in ACS Applied Materials & Interfaces described its use as a building block for the synthesis of conductive polymers with applications in biosensors and drug delivery systems. The researchers found that the incorporation of the propylthio group improved the polymers' stability and conductivity, making them suitable for use in biomedical devices.

Despite these promising findings, challenges remain in the large-scale production and optimization of 4-(Propylthio)-1,2-benzenediamine-based compounds. Future research directions may include the development of more efficient synthetic routes, further exploration of its mechanism of action, and preclinical evaluation of its safety and efficacy. Overall, the recent advancements underscore the compound's versatility and potential to contribute to multiple areas of chemical biology and pharmaceutical research.

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