Cas no 31805-83-1 (1,3-Bis(methylthio)-2-propanol)
1,3-Bis(methylthio)-2-propanol Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Bis(methylthio)-2-propanol
- 1,3-bis(methylsulfanyl)propan-2-ol
- 1,3-Bis-methylmercapto-propan-2-ol
- 1,3-bis-methylsulfanyl-propan-2-ol
- UNII-T658L4YWD8
- 1,3-bis(methylsulphanyl)propan-2-ol
- FT-0606578
- NSC240695
- NSC 240695
- 1,3-Bis(methylthio)propan-2-ol
- NSC-240695
- 31805-83-1
- 1,3-Bis(methylsulfanyl)-2-propanol
- 2-Propanol, 1,3-bis(methylthio)-
- T658L4YWD8
- SCHEMBL8471670
- 1,3-bis(methylsulfanyl)-propan-2-ol
- EINECS 250-814-7
- BTQNSLFPJKRBQK-UHFFFAOYSA-N
- NS00029175
- DTXSID00185684
- 1,3-Bis(methylsulfanyl)-2-propanol #
-
- MDL: MFCD00041435
- Inchi: 1S/C5H12OS2/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
- InChI Key: BTQNSLFPJKRBQK-UHFFFAOYSA-N
- SMILES: S(C)CC(CSC)O
- BRN: 1734314
Computed Properties
- Exact Mass: 152.03300
- Monoisotopic Mass: 152.032956
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 43.7
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.9
- Topological Polar Surface Area: 70.8
Experimental Properties
- Density: 112
- Boiling Point: 112-114°C 5mm
- Flash Point: 112-114°C/5mm
- Refractive Index: 1.536
- PSA: 70.83000
- LogP: 1.07330
1,3-Bis(methylthio)-2-propanol Security Information
- Safety Instruction: S23-S24/25
- Safety Term:S23;S24/25
1,3-Bis(methylthio)-2-propanol 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%
1,3-Bis(methylthio)-2-propanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | B21893-1g |
1,3-Bis(methylthio)-2-propanol, 97% |
31805-83-1 | 97% | 1g |
¥193.00 | 2022-03-14 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | B21893-5g |
1,3-Bis(methylthio)-2-propanol, 97% |
31805-83-1 | 97% | 5g |
¥1076.00 | 2022-03-14 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1535819-1g |
1,3-Bis(methylthio)propan-2-ol |
31805-83-1 | 98% | 1g |
¥379.00 | 2024-08-02 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1535819-5g |
1,3-Bis(methylthio)propan-2-ol |
31805-83-1 | 98% | 5g |
¥1224.00 | 2024-08-02 |
1,3-Bis(methylthio)-2-propanol Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Additional information on 1,3-Bis(methylthio)-2-propanol
Introduction to 1,3-Bis(methylthio)-2-propanol (CAS No. 31805-83-1)
1,3-Bis(methylthio)-2-propanol, with the chemical formula C?H??S?, is a significant compound in the field of organic chemistry and pharmaceutical research. This organosulfur compound has garnered attention due to its unique structural properties and potential applications in various scientific domains. The presence of two methylthio (-SCH?) groups at the 1 and 3 positions of the propane backbone imparts distinct reactivity and functional characteristics, making it a valuable intermediate in synthetic chemistry.
The compound is primarily recognized for its role as a precursor in the synthesis of more complex molecules. Its bifunctional nature allows for selective modifications at both sulfur-containing sites, enabling chemists to tailor its reactivity for specific applications. In recent years, advancements in synthetic methodologies have expanded the utility of 1,3-bis(methylthio)-2-propanol in the development of novel pharmaceuticals and agrochemicals.
One of the most compelling aspects of this compound is its potential as a building block in drug discovery. The sulfur atoms in 1,3-bis(methylthio)-2-propanol can participate in various chemical reactions, including nucleophilic substitution and coordination with transition metals. These reactions are pivotal in constructing heterocyclic frameworks, which are prevalent in many bioactive molecules. For instance, recent studies have demonstrated its utility in the synthesis of thiazole derivatives, which exhibit promising antimicrobial and anti-inflammatory properties.
Recent research has also highlighted the role of 1,3-bis(methylthio)-2-propanol in polymer chemistry. Its ability to undergo thiol-ene click reactions has been exploited to develop sulfur-containing polymers with enhanced thermal stability and mechanical strength. These materials are particularly relevant in industries requiring high-performance polymers, such as aerospace and automotive sectors.
The pharmacological potential of 1,3-bis(methylthio)-2-propanol has not been fully explored, but preliminary studies suggest that derivatives of this compound may possess interesting biological activities. For example, modifications at the sulfur atoms could lead to compounds with kinase inhibition properties, which are crucial in treating cancers and inflammatory diseases. Ongoing research aims to uncover new pharmacophores by leveraging the structural flexibility of this molecule.
In addition to its pharmaceutical applications, 1,3-bis(methylthio)-2-propanol has shown promise in environmental chemistry. Its reactivity with atmospheric pollutants has been investigated as a potential strategy for reducing sulfur oxide emissions from industrial processes. By acting as a scavenger for reactive sulfur species, this compound could contribute to more sustainable manufacturing practices.
The synthesis of 1,3-bis(methylthio)-2-propanol typically involves the reaction of methanethiol with allyl alcohol or propargyl alcohol under controlled conditions. Recent improvements in catalytic systems have enabled more efficient and scalable production methods, reducing costs and environmental impact. These advancements are critical for ensuring the compound's availability for industrial applications.
The safety profile of 1,3-bis(methylthio)-2-propanol is another important consideration. While it is not classified as a hazardous material under standard regulatory frameworks, proper handling procedures should be followed to minimize exposure risks. Personal protective equipment (PPE) such as gloves and safety goggles is recommended during laboratory work involving this compound.
In conclusion,1,3-bis(methylthio)-2-propanol (CAS No. 31805-83-1) is a versatile and multifaceted compound with significant implications across multiple scientific disciplines. Its unique structural features make it an invaluable tool in synthetic chemistry, drug development, polymer science, and environmental technology. As research continues to uncover new applications for this molecule,1,3-bis(methylthio)-2-propanol is poised to play an increasingly important role in advancing scientific innovation.
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