Cas no 54460-95-6 (4(1H)-Pyrimidinone, 2-(propylthio)-)
4(1H)-Pyrimidinone, 2-(propylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 2-(propylthio)-
- 2-(Propylthio)-4(1H)-pyrimidinone
- 2-propylsulfanyl-1H-pyrimidin-6-one
- 2-(propylthio)pyrimidin-4-ol
- SR-01000471149-1
- SCHEMBL6135340
- SB57221
- 2-(Propylsulfanyl)-4-pyrimidinol #
- SR-01000471149
- DTXSID20336510
- MFCD02357221
- AKOS001655935
- 2-(Propylthio)pyrimidin-4(1H)-one
- AMY41808
- 2-(propylthio)pyrimidin-4-ol? (Ticagrelor Impurity pound(c)
- 2-Propylsulfanyl-pyrimidin-4-ol
- EU-0009112
- VU0061009-1
- CS-0165739
- 54460-95-6
-
- Inchi: 1S/C7H10N2OS/c1-2-5-11-7-8-4-3-6(10)9-7/h3-4H,2,5H2,1H3,(H,8,9,10)
- InChI Key: BZNZMDBBTRVRQI-UHFFFAOYSA-N
- SMILES: S(C1=NC=CC(N1)=O)CCC
Computed Properties
- Exact Mass: 170.0515
- Monoisotopic Mass: 170.05138412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 211
- 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: 1.1
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 41.46
4(1H)-Pyrimidinone, 2-(propylthio)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AG58257-100mg |
2-(Propylthio)pyrimidin-4(1H)-one |
54460-95-6 | 100mg |
$1074.00 | 2024-04-19 |
4(1H)-Pyrimidinone, 2-(propylthio)- Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
Additional information on 4(1H)-Pyrimidinone, 2-(propylthio)-
Comprehensive Overview of 4(1H)-Pyrimidinone, 2-(propylthio)- (CAS No. 54460-95-6)
4(1H)-Pyrimidinone, 2-(propylthio)- (CAS No. 54460-95-6) is a heterocyclic organic compound that belongs to the pyrimidinone family. This compound has garnered significant attention in recent years due to its potential applications in pharmaceuticals, agrochemicals, and material science. The pyrimidinone core structure is a key motif in many biologically active molecules, making derivatives like 2-(propylthio)-4(1H)-pyrimidinone highly valuable for research and development.
One of the most frequently searched questions about 4(1H)-Pyrimidinone, 2-(propylthio)- revolves around its synthesis and reactivity. Researchers often inquire about the optimal conditions for its preparation, as well as its stability under various environmental conditions. The compound's thioether functional group (propylthio) contributes to its unique chemical properties, including its ability to participate in nucleophilic substitution reactions. This feature makes it a versatile intermediate in organic synthesis.
In the context of current trends, 4(1H)-Pyrimidinone, 2-(propylthio)- has been explored for its potential role in drug discovery. With the growing interest in targeted therapies and small-molecule inhibitors, this compound's structural features align well with modern medicinal chemistry strategies. Its pyrimidinone scaffold is often associated with kinase inhibition, a hot topic in oncology and inflammation research. Users searching for "pyrimidinone derivatives in drug development" will find this compound particularly relevant.
Another area of interest is the compound's potential applications in agrochemicals. The 2-(propylthio) moiety may enhance the bioavailability or activity of certain pesticides or herbicides. Recent studies have highlighted the importance of sulfur-containing heterocycles in crop protection, making 4(1H)-Pyrimidinone, 2-(propylthio)- a candidate for further investigation in this field.
From a material science perspective, the compound's aromatic heterocycle structure could contribute to the development of advanced materials, such as organic semiconductors or coordination polymers. Researchers exploring "pyrimidinone-based materials" often seek information about its electronic properties and potential for functionalization.
Analytical characterization of 4(1H)-Pyrimidinone, 2-(propylthio)- is another common search topic. Techniques like NMR spectroscopy, mass spectrometry, and X-ray crystallography are frequently used to confirm its structure and purity. The compound's solubility profile—often queried as "solubility of 2-(propylthio)-4(1H)-pyrimidinone"—is crucial for its practical applications in various solvents.
In terms of safety and handling, while 4(1H)-Pyrimidinone, 2-(propylthio)- is not classified as hazardous under standard regulations, proper laboratory practices should always be followed. Users searching for "MSDS of CAS 54460-95-6" or "handling precautions for pyrimidinone derivatives" should consult reliable sources for specific guidance.
The future prospects of 4(1H)-Pyrimidinone, 2-(propylthio)- are promising, particularly in the context of green chemistry and sustainable synthesis. As the chemical industry moves toward more environmentally friendly processes, researchers are investigating catalytic methods and renewable feedstocks for producing such heterocyclic compounds. This aligns with the growing search trend for "eco-friendly synthesis of sulfur heterocycles."
In conclusion, 4(1H)-Pyrimidinone, 2-(propylthio)- (CAS No. 54460-95-6) represents a fascinating compound with diverse potential across multiple scientific disciplines. Its pyrimidinone core and propylthio substituent offer unique opportunities for innovation in pharmaceuticals, agrochemicals, and materials science. As research continues to uncover new applications, this compound is likely to remain a subject of significant interest in the scientific community.
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