Cas no 898796-23-1 ((4-aminothian-4-yl)methanol)
(4-aminothian-4-yl)methanol Chemical and Physical Properties
Names and Identifiers
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- (4-Aminotetrahydro-2H-thiopyran-4-yl)methanol
- (4-Amino-4-tetrahydrothiopyranyl)methanol
- (4-AMINOTHIAN-4-YL)METHANOL
- (4-AMINO-TETRAHYDRO-THIOPYRAN-4-YL)METHANOL
- 4756AJ
- AB20273
- TRA0061577
- SY016240
- (4-amino-tetrahydro-thiopyran-4-yl)methanol, AldrichCPR
- 4-Aminotetrahydro-2H-thiopyran-4-methanol (ACI)
- DB-021559
- MFCD04115579
- 898796-23-1
- EN300-251395
- AKOS010593412
- YKB79623
- DTXSID00646967
- AC1096
- SCHEMBL1920504
- CS-0091304
- (4-aminothian-4-yl)methanol
-
- MDL: MFCD04115579
- Inchi: 1S/C6H13NOS/c7-6(5-8)1-3-9-4-2-6/h8H,1-5,7H2
- InChI Key: HWKDOXLSRXDTGS-UHFFFAOYSA-N
- SMILES: OCC1(CCSCC1)N
Computed Properties
- Exact Mass: 147.07200
- Monoisotopic Mass: 147.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 91.1
- 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
- Topological Polar Surface Area: 71.6
- XLogP3: -0.4
Experimental Properties
- PSA: 71.55000
- LogP: 0.90350
(4-aminothian-4-yl)methanol Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
(4-aminothian-4-yl)methanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A633888-10mg |
(4-Amino-4-tetrahydrothiopyranyl)methanol |
898796-23-1 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | A633888-50mg |
(4-Amino-4-tetrahydrothiopyranyl)methanol |
898796-23-1 | 50mg |
$ 115.00 | 2022-06-07 | ||
| TRC | A633888-100mg |
(4-Amino-4-tetrahydrothiopyranyl)methanol |
898796-23-1 | 100mg |
$ 185.00 | 2022-06-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y01265-1g |
(4-Amino-4-tetrahydrothiopyranyl)methanol |
898796-23-1 | 95% | 1g |
¥4099.0 | 2024-07-16 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | Y01265-100mg |
(4-Amino-4-tetrahydrothiopyranyl)methanol |
898796-23-1 | 95% | 100mg |
¥1129.0 | 2024-07-16 | |
| Chemenu | CM126294-1g |
(4-aminotetrahydro-2H-thiopyran-4-yl)methanol |
898796-23-1 | 95% | 1g |
$561 | 2021-08-05 | |
| Alichem | A119001532-250mg |
(4-Aminotetrahydro-2H-thiopyran-4-yl)methanol |
898796-23-1 | 95% | 250mg |
$278.20 | 2023-08-31 | |
| Alichem | A119001532-1g |
(4-Aminotetrahydro-2H-thiopyran-4-yl)methanol |
898796-23-1 | 95% | 1g |
$600.00 | 2023-08-31 | |
| eNovation Chemicals LLC | D691317-0.1g |
(4-Amino-4-tetrahydrothiopyranyl)methanol |
898796-23-1 | 95% | 0.1g |
$220 | 2024-07-20 | |
| eNovation Chemicals LLC | D691317-0.25g |
(4-Amino-4-tetrahydrothiopyranyl)methanol |
898796-23-1 | 95% | 0.25g |
$255 | 2024-07-20 |
(4-aminothian-4-yl)methanol Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
Additional information on (4-aminothian-4-yl)methanol
Chemical Profile of (4-aminothian-4-yl)methanol (CAS No. 898796-23-1)
(4-aminothian-4-yl)methanol, identified by its CAS number 898796-23-1, is a significant compound in the realm of pharmaceutical chemistry and bioorganic synthesis. This heterocyclic alcohol features a sulfur-containing thiazole ring appended with an amino group and a hydroxymethyl substituent, making it a versatile intermediate for the development of novel therapeutic agents. The unique structural motifs present in this molecule have garnered considerable attention from researchers exploring innovative drug discovery strategies.
The thiazole core is a privileged scaffold in medicinal chemistry, known for its broad spectrum of biological activities. Compounds derived from thiazole have been extensively studied for their potential applications in antimicrobial, antifungal, anti-inflammatory, and anticancer therapies. The presence of an amino group at the 4-position of the thiazole ring in (4-aminothian-4-yl)methanol enhances its reactivity, enabling further functionalization through various chemical transformations. This reactivity is particularly valuable in constructing more complex molecular architectures that mimic natural products or target specific biological pathways.
In recent years, there has been a surge in interest regarding the development of sulfur-containing heterocycles due to their remarkable pharmacological properties. The sulfur atom in thiazole can engage in multiple interactions with biological targets, including hydrogen bonding, π-stacking, and metal coordination, which contribute to the compound's binding affinity and efficacy. Furthermore, the hydroxymethyl group provides a site for further derivatization, allowing chemists to tailor the compound's properties for specific applications.
One of the most compelling aspects of (4-aminothian-4-yl)methanol is its potential as a building block for drug candidates targeting neurological disorders. Thiazole derivatives have shown promise in modulating neurotransmitter systems, particularly in the context of neurodegenerative diseases such as Alzheimer's and Parkinson's. The amino group at the 4-position can be exploited to form amide or urea linkages with pharmacophores known to interact with central nervous system receptors. Recent studies have highlighted the therapeutic potential of thiazole-based compounds in alleviating cognitive decline and restoring neuronal function.
Another area where (4-aminothian-4-yl)methanol has demonstrated significance is in the field of anticancer research. The ability to functionalize the thiazole ring with various substituents has led to the discovery of several lead compounds that exhibit potent cytotoxic activity against multiple cancer cell lines. The hydroxymethyl group can be incorporated into prodrugs or conjugates designed to enhance drug delivery and bioavailability. Additionally, the amino group provides a handle for covalent bonding with biomolecules, enabling targeted therapies that selectively inhibit tumor growth while minimizing side effects.
Advances in synthetic methodologies have further expanded the utility of (4-aminothian-4-yl)methanol as a key intermediate. Modern techniques such as transition-metal-catalyzed cross-coupling reactions have enabled efficient construction of complex thiazole derivatives with high regioselectivity and yield. These methods have streamlined the synthesis of biologically active molecules, reducing both time and cost associated with drug development pipelines. The accessibility of starting materials like (4-aminothian-4-yl)methanol has consequently accelerated the discovery process for novel therapeutics.
Computational modeling and molecular docking studies have also played a pivotal role in understanding the interactions between (4-aminothian-4-yl)methanol and biological targets. These studies provide insights into binding affinities, enzyme kinetics, and metabolic stability, guiding rational design modifications to optimize drug-like properties. By leveraging computational tools alongside experimental validation, researchers can rapidly screen large libraries of derivatives and identify promising candidates for further development.
The versatility of (4-aminothian-4-yl)methanol extends beyond pharmaceutical applications; it also finds utility in agrochemicals and material science. Thiazole derivatives are known for their pesticidal and herbicidal properties, making them valuable components in crop protection formulations. Moreover, the unique electronic properties of sulfur-containing heterocycles have been explored in designing organic semiconductors and luminescent materials for optoelectronic devices.
Looking ahead, future research endeavors are likely to focus on expanding the synthetic toolkit for (4-aminothian-4-yl)methanol derivatives through innovative catalytic systems and green chemistry approaches. Efforts will also continue to explore untapped biological niches where thiazole-based compounds can exert therapeutic effects. Collaborative initiatives involving academia and industry will be crucial in translating laboratory discoveries into clinical reality, ensuring that compounds like (4-aminothian-4-yl)methanol meet unmet medical needs.
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