Cas no 53475-15-3 (3-Methylthio-2-butanone)
3-Methylthio-2-butanone Chemical and Physical Properties
Names and Identifiers
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- 2-Butanone,3-(methylthio)-
- 3-Methylthio-2-butanone
- 3-methylsulfanylbutan-2-one
- 3-Methylmercapto-2-butanone
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- MDL: MFCD00008761
- Inchi: InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3
- InChI Key: HFVLNCDRAMUMCC-UHFFFAOYSA-N
- SMILES: CC(=O)C(C)SC
Computed Properties
- Exact Mass: 118.04500
- Monoisotopic Mass: 118.045236
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 70.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1
- Topological Polar Surface Area: 42.4
Experimental Properties
- Color/Form: liquid
- Density: 0.964
- Boiling Point: 160°C
- Flash Point: 44 oC
- Refractive Index: n20/D 1.471(lit.)
- PSA: 42.37000
- LogP: 1.32690
- Solubility: Not determined
- FEMA: 4181 | 3-(METHYLTHIO)-2-BUTANONE
3-Methylthio-2-butanone Security Information
-
Symbol:
- Prompt:warning
- Hazard Statement: H226
- Warning Statement: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- Hazardous Material transportation number:UN 1224 3
- WGK Germany:3
- Hazard Category Code: 10
- Safety Instruction: S23; S24/25
- HazardClass:3.2
- PackingGroup:III
- Safety Term:3.2
- Packing Group:III
- Risk Phrases:R10
- Storage Condition:Flammable area
3-Methylthio-2-butanone Customs Data
- HS CODE:2930909090
- Customs Data:
China Customs Code:
2930909090Overview:
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%
3-Methylthio-2-butanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M863336-5ml |
3-Methylthio-2-butanone |
53475-15-3 | ≥98%(GC) | 5ml |
¥268.00 | 2022-09-01 | |
| TRC | M725593-250mg |
3-Methylthio-2-butanone |
53475-15-3 | 250mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M725593-500mg |
3-Methylthio-2-butanone |
53475-15-3 | 500mg |
$ 65.00 | 2022-06-03 | ||
| TRC | M725593-2.5g |
3-Methylthio-2-butanone |
53475-15-3 | 2.5g |
$ 80.00 | 2022-06-03 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M158808-25ML |
3-Methylthio-2-butanone |
53475-15-3 | >98.0%(GC) | 25ml |
¥436.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M158808-5ml |
3-Methylthio-2-butanone |
53475-15-3 | >98.0%(GC) | 5ml |
¥136.90 | 2023-09-02 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | M1113-25ml |
3-Methylthio-2-butanone |
53475-15-3 | 97.0%(GC) | 25ml |
¥650.0 | 2022-06-10 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | M1113-25ML |
3-Methylthio-2-butanone |
53475-15-3 | >98.0%(GC) | 25ml |
¥650.00 | 2023-09-07 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-487582-25 ml |
3-Methylthio-2-butanone, |
53475-15-3 | 25 ml |
¥857.00 | 2023-09-05 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | M1113-25ml |
3-Methylthio-2-butanone |
53475-15-3 | 97.0%(GC) | 25ml |
¥650.0 | 2023-09-02 |
3-Methylthio-2-butanone Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
Additional information on 3-Methylthio-2-butanone
Introduction to 3-Methylthio-2-butanone (CAS No. 53475-15-3)
3-Methylthio-2-butanone, identified by the Chemical Abstracts Service Number (CAS No.) 53475-15-3, is a significant organic compound that has garnered attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique molecular structure, exhibits a range of potential applications that span from synthetic chemistry to drug development. Its molecular formula, C5H12OS, underscores its role as a sulfur-containing heterocyclic compound, which is increasingly relevant in modern medicinal chemistry due to its structural versatility and biological activity.
The structure of 3-Methylthio-2-butanone consists of a ketone group (C=O) attached to a methylthio (-SCH3) substituent on a butanone backbone. This configuration imparts distinct chemical properties that make it a valuable intermediate in organic synthesis. The presence of the sulfur atom not only influences its reactivity but also enhances its potential as a bioactive molecule. In recent years, the study of sulfur-containing compounds has seen substantial growth, driven by their role in modulating biological pathways and their incorporation into pharmacophores that exhibit therapeutic effects.
In the realm of chemical biology, 3-Methylthio-2-butanone has been explored for its potential role as a modulator of enzyme activity and signal transduction pathways. Research indicates that sulfur-containing compounds often interact with biological targets in unique ways, making them promising candidates for drug discovery. Specifically, the methylthio group in 3-Methylthio-2-butanone can participate in hydrogen bonding and hydrophobic interactions, which are critical for binding to biological macromolecules such as proteins and enzymes. This property has led to investigations into its potential use as an inhibitor or activator in various biochemical processes.
Recent studies have highlighted the pharmaceutical applications of 3-Methylthio-2-butanone and related derivatives. For instance, researchers have examined its efficacy in inhibiting specific enzymes implicated in inflammatory responses and metabolic disorders. The compound’s ability to mimic or interfere with natural signaling molecules makes it an attractive scaffold for designing novel therapeutic agents. Additionally, its stability under various reaction conditions enhances its utility as a synthetic intermediate in the preparation of more complex molecules.
The synthetic chemistry of 3-Methylthio-2-butanone is another area where this compound has demonstrated significant utility. Its synthesis typically involves reactions such as thiolation of ketones or condensation reactions involving sulfur-containing precursors. These synthetic pathways are not only efficient but also scalable, making 3-Methylthio-2-butanone accessible for industrial applications. Furthermore, the compound’s reactivity allows for further functionalization, enabling the creation of libraries of derivatives with tailored properties for specific applications.
In conclusion, 3-Methylthio-2-butanone (CAS No. 53475-15-3) is a versatile and intriguing compound with broad implications in chemical biology and pharmaceutical research. Its unique structural features and biological activity make it a valuable asset in both academic research and industrial applications. As the field of medicinal chemistry continues to evolve, compounds like 3-Methylthio-2-butanone are poised to play an increasingly important role in the discovery and development of new therapeutic agents that address unmet medical needs.
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