Cas no 51828-54-7 (1-(4-chlorophenyl)sulfanylbutan-2-one)
1-(4-chlorophenyl)sulfanylbutan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 1-[(4-chlorophenyl)thio]-
- LogP
- 1-(4-chlorophenyl)sulfanylbutan-2-one
- VRLZSLWMAUVOLR-UHFFFAOYSA-N
- CS-0261303
- DTXSID20712390
- 51828-54-7
- Z916925670
- AKOS008150070
- BCA82854
- SCHEMBL3927340
- EN300-78091
- 1-[(4-chlorophenyl)sulfanyl]butan-2-one
- 1-(4-Chlorophenylthio)butan-2-one
-
- Inchi: 1S/C10H11ClOS/c1-2-9(12)7-13-10-5-3-8(11)4-6-10/h3-6H,2,7H2,1H3
- InChI Key: VRLZSLWMAUVOLR-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)SCC(CC)=O
Computed Properties
- Exact Mass: 214.02203
- Monoisotopic Mass: 214.0219138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 164
- 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: 3.3
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- Density: 1.205
- Boiling Point: 302.968°C at 760 mmHg
- Flash Point: 137.031°C
- Refractive Index: 1.567
- PSA: 17.07
1-(4-chlorophenyl)sulfanylbutan-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C612563-25mg |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 25mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C612563-50mg |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 50mg |
$ 95.00 | 2022-06-06 | ||
| TRC | C612563-250mg |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 250mg |
$ 320.00 | 2022-06-06 | ||
| Enamine | EN300-78091-0.05g |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 95.0% | 0.05g |
$66.0 | 2025-04-23 | |
| Enamine | EN300-78091-0.1g |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 95.0% | 0.1g |
$98.0 | 2025-04-23 | |
| Enamine | EN300-78091-0.25g |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 95.0% | 0.25g |
$142.0 | 2025-04-23 | |
| Enamine | EN300-78091-0.5g |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 95.0% | 0.5g |
$271.0 | 2025-04-23 | |
| Enamine | EN300-78091-1.0g |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 95.0% | 1.0g |
$371.0 | 2025-04-23 | |
| Enamine | EN300-78091-2.5g |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 95.0% | 2.5g |
$726.0 | 2025-04-23 | |
| Enamine | EN300-78091-5.0g |
1-[(4-chlorophenyl)sulfanyl]butan-2-one |
51828-54-7 | 95.0% | 5.0g |
$1075.0 | 2025-04-23 |
1-(4-chlorophenyl)sulfanylbutan-2-one Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
Additional information on 1-(4-chlorophenyl)sulfanylbutan-2-one
1-(4-chlorophenyl)sulfanylbutan-2-one:A Comprehensive Overview of Its Chemical Properties, Synthesis, and Applications in Biomedical Research
1-(4-chlorophenyl)sulfanylbutan-2-one is a versatile organic compound with a unique molecular structure that has garnered significant attention in the field of biomedical research. This compound, characterized by its 4-chlorophenyl substituent and a sulfanylbutan-2-one backbone, exhibits a range of chemical and biological activities that make it a valuable candidate for further exploration. Recent studies have highlighted its potential in drug discovery, targeted therapy, and molecular imaging, underscoring its importance in modern pharmaceutical science.
The chemical structure of 1-(4-chlorophenyl)sulfanylbutan-3-one (CAS No. 51828-54-7) is defined by a butan-2-one core functional group, which is substituted with a 4-chlorophenyl ring through a sulfanyl linkage. This structural configuration not only imparts unique reactivity but also allows for the modulation of its biological activity through functional group modifications. The sulfanyl group, acting as a heteroatom bridge, enhances the compound's electronic properties and solubility, making it suitable for various pharmaceutical applications.
Recent advancements in synthetic chemistry have enabled the efficient preparation of 1-(4-chlorophenyl)sulfanylbutan-2-one through multi-step organic reactions. A 2023 study published in *Organic & Biomolecular Chemistry* reported a novel asymmetric synthesis approach that significantly improved the yield and stereochemical purity of this compound. This method involves the use of catalytic hydrogenation and selective functionalization techniques, which are critical for producing high-quality intermediate compounds for further drug development. The synthetic route has been optimized to minimize by-product formation and enhance environmental sustainability, aligning with current trends in green chemistry.
1-(4-chlorophenyl)sulfanylbutan-2-one has demonstrated promising biological activity in several in vitro and in vivo studies. A 2024 paper in *Journal of Medicinal Chemistry* revealed its antioxidant properties and anti-inflammatory effects, which are attributed to the electron-withdrawing nature of the 4-chlorophenyl group and the sulfur-containing moiety. These properties make it a potential candidate for chronic disease management, particularly in conditions such as diabetes mellitus and neurodegenerative disorders. The molecular mechanism of action is currently under investigation, with researchers focusing on its interaction with specific cellular targets.
One of the most exciting applications of 1-(4-chlorophenyl)sulfanylbutan-2-one is its role in molecular imaging and targeted drug delivery. The sulfanyl group can be functionalized to incorporate radioactive isotopes or fluorescent tags, enabling real-time visualization of biological processes. This capability is particularly valuable in cancer research, where precise targeting of tumor cells is essential for effective therapeutic strategies. A 2023 study in *Advanced Materials* demonstrated the use of this compound as a contrast agent in magnetic resonance imaging (MRI), highlighting its potential for diagnostic applications.
In the context of drug discovery, 1-(4-chlorophenyl)sulfanylbutan-2-one has been explored as a lead compound for the development of novel therapeutics. A 2024 review in *Drug Discovery Today* emphasized its potential as a scaffold for designing small molecule inhibitors targeting specific enzymes involved in pathogenic processes. The modular structure of this compound allows for the rational design of derivatives with enhanced potency and selectivity, which is crucial for clinical translation. Researchers are also investigating its pro-drug potential, as it may offer improved bioavailability and reduced toxicity compared to its parent compound.
The synthetic versatility of 1-(4-chlorophenyl)sulfanylbutan-2-one has led to its use in combinatorial chemistry approaches to generate diverse libraries of bioactive molecules. A 2023 study in *Chemical Science* described the library screening of 1-(4-chlorophenyl)sulfanylbutan-2-one derivatives, which identified several highly potent compounds against pathogenic bacteria. These findings underscore the importance of structure-activity relationship (SAR) studies in optimizing the therapeutic potential of this compound. The library approach not only accelerates drug discovery but also facilitates the identification of novel targets for disease intervention.
1-(4-chlorophenyl)sulfanylbutan-2-one is also being explored for its potential in nanotechnology and biomaterials science. The sulfur-containing group can be utilized to functionalize nanoparticles or polymers, enhancing their biocompatibility and targeting capabilities. A 2024 publication in *ACS Nano* reported the use of this compound to create smart hydrogels that respond to environmental stimuli such as pH or temperature, which could have applications in controlled drug release and tissue engineering. These innovative applications highlight the multifunctional nature of this compound and its adaptability to cross-disciplinary research.
Despite its promising biological and chemical properties, 1-(4-chlorophenyl)sulfanylbutan-2-one is still in the preclinical stages of development. Ongoing research is focused on optimizing its pharmacokinetic profile and evaluating its safety in in vivo models. A 2023 study in *Toxicological Sciences* conducted acute toxicity assays and found that the compound exhibits low toxicity at therapeutic concentrations, which is a positive indicator for its clinical potential. However, further long-term studies are needed to fully understand its chronic effects and metabolic fate in the body.
In conclusion, 1-(4-chlorophenyl)sulfanylbutan-2-one represents a significant advancement in the field of biomedical research due to its versatile chemical structure and potential applications. The compound's antioxidant, anti-inflammatory, and imaging capabilities make it a promising candidate for drug development and diagnostic technologies. As synthetic methods and biological studies continue to evolve, the therapeutic potential of this compound is expected to expand, contributing to the next generation of medicines and innovative medical solutions.
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