Cas no 18850-48-1 (4-[(4-methylphenyl)thio]butanoic acid)
4-[(4-methylphenyl)thio]butanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-P-TOLYLSULFANYL-BUTYRIC ACID
- 4-(4-methylphenyl)sulfanylbutanoic acid
- 4-(4-Methyl-phenylmercapto)-buttersaeure
- 4-[(4-methylphenyl)thio]butanoic acid
- 4-p-Tolylmercapto-buttersaeure
- AC1L5KT9
- AC1Q5WD0
- butanoic acid, 4-[(4-methylphenyl)thio]-
- CTK4D9805
- F2182-0129
- NSC125379
- p-tolythiobutyric acid
- SureCN417732
- UKRORGSYN-BB BBV-051115
-
- MDL: MFCD09810322
- Inchi: InChI=1S/C11H14O2S/c1-9-4-6-10(7-5-9)14-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
- InChI Key: HGFAYEMEDMUNOS-UHFFFAOYSA-N
- SMILES: CC1=CC=C(C=C1)SCCCC(=O)O
Computed Properties
- Exact Mass: 210.07152
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
Experimental Properties
- PSA: 37.3
4-[(4-methylphenyl)thio]butanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M247781-100mg |
4-[(4-Methylphenyl)thio]butanoic Acid |
18850-48-1 | 100mg |
$ 70.00 | 2022-06-04 | ||
| TRC | M247781-500mg |
4-[(4-Methylphenyl)thio]butanoic Acid |
18850-48-1 | 500mg |
$ 230.00 | 2022-06-04 | ||
| TRC | M247781-1g |
4-[(4-Methylphenyl)thio]butanoic Acid |
18850-48-1 | 1g |
$ 365.00 | 2022-06-04 | ||
| eNovation Chemicals LLC | Y1015272-20mg |
butanoic acid, 4-[(4-methylphenyl)thio]- |
18850-48-1 | 95% | 20mg |
$2070 | 2023-09-04 | |
| Enamine | EN300-118908-0.05g |
4-[(4-methylphenyl)sulfanyl]butanoic acid |
18850-48-1 | 95.0% | 0.05g |
$168.0 | 2025-02-21 | |
| Enamine | EN300-118908-0.1g |
4-[(4-methylphenyl)sulfanyl]butanoic acid |
18850-48-1 | 95.0% | 0.1g |
$252.0 | 2025-02-21 | |
| Enamine | EN300-118908-0.25g |
4-[(4-methylphenyl)sulfanyl]butanoic acid |
18850-48-1 | 95.0% | 0.25g |
$361.0 | 2025-02-21 | |
| Enamine | EN300-118908-0.5g |
4-[(4-methylphenyl)sulfanyl]butanoic acid |
18850-48-1 | 95.0% | 0.5g |
$569.0 | 2025-02-21 | |
| Enamine | EN300-118908-1.0g |
4-[(4-methylphenyl)sulfanyl]butanoic acid |
18850-48-1 | 95.0% | 1.0g |
$728.0 | 2025-02-21 | |
| Enamine | EN300-118908-2.5g |
4-[(4-methylphenyl)sulfanyl]butanoic acid |
18850-48-1 | 95.0% | 2.5g |
$1428.0 | 2025-02-21 |
4-[(4-methylphenyl)thio]butanoic acid Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
Additional information on 4-[(4-methylphenyl)thio]butanoic acid
Professional Introduction to 4-[(4-methylphenyl)thio]butanoic Acid (CAS No. 18850-48-1)
4-[(4-methylphenyl)thio]butanoic acid, identified by its Chemical Abstracts Service (CAS) number 18850-48-1, is a significant compound in the field of chemical and pharmaceutical research. This compound, featuring a butanoic acid moiety linked to a thioether group connected to a 4-methylphenyl group, has garnered attention due to its unique structural properties and potential applications in medicinal chemistry.
The molecular structure of 4-[(4-methylphenyl)thio]butanoic acid consists of a butyric acid backbone (butanoic acid) with a sulfur atom bridging to a phenyl ring that is substituted with a methyl group at the fourth position. This configuration imparts distinct chemical reactivity and binding capabilities, making it a valuable scaffold for drug design and development.
In recent years, the pharmaceutical industry has shown increasing interest in thioether-containing compounds due to their versatile biological activities. The presence of the thioether linkage in 4-[(4-methylphenyl)thio]butanoic acid allows for various chemical modifications, enabling the synthesis of derivatives with enhanced pharmacological properties. For instance, researchers have explored its potential as an intermediate in the development of novel therapeutic agents targeting neurological disorders.
One of the most compelling aspects of 4-[(4-methylphenyl)thio]butanoic acid is its role in the synthesis of small-molecule inhibitors. Studies have demonstrated that derivatives of this compound can interact with specific biological targets, modulating pathways involved in inflammation and pain management. The 4-methylphenyl moiety, in particular, has been found to enhance binding affinity and selectivity, crucial factors in drug design.
The compound's utility extends beyond its direct pharmacological applications. It serves as a key intermediate in the synthesis of more complex molecules, facilitating the development of new drugs with tailored properties. For example, researchers have utilized 4-[(4-methylphenyl)thio]butanoic acid to create chiral derivatives, which are essential for achieving enantiopurity in pharmaceutical formulations—a critical requirement for ensuring efficacy and safety.
Recent advancements in computational chemistry have further highlighted the importance of 4-[(4-methylphenyl)thio]butanoic acid. Molecular modeling studies have revealed insights into its interactions with biological targets, providing a foundation for rational drug design. These studies have identified key structural features that contribute to its binding affinity, guiding the optimization of lead compounds.
The synthesis of 4-[(4-methylphenyl)thio]butanoic acid involves multi-step organic reactions, typically starting from commercially available precursors. The process requires careful control of reaction conditions to ensure high yield and purity. Advanced synthetic techniques, such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions, have been employed to streamline the synthesis and improve efficiency.
In conclusion, 4-[(4-methylphenyl)thio]butanoic acid (CAS No. 18850-48-1) is a versatile compound with significant potential in pharmaceutical research. Its unique structural features and reactivity make it an invaluable tool for drug discovery and development. As research continues to uncover new applications for this compound, it is likely to remain a cornerstone in the field of medicinal chemistry.
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