Cas no 18850-48-1 (4-[(4-methylphenyl)thio]butanoic acid)

4-[(4-methylphenyl)thio]butanoic acid is a sulfur-containing organic compound featuring a butanoic acid backbone substituted with a 4-methylphenylthio group. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the preparation of thioether-based derivatives. Its aromatic thioether moiety enhances stability while allowing for further functionalization, such as oxidation to sulfoxides or sulfones. The carboxylic acid group provides a handle for conjugation or derivatization, broadening its utility in pharmaceutical and materials chemistry. The compound’s well-defined structure and compatibility with diverse reaction conditions make it a reliable building block for research and industrial applications requiring precise molecular design.
4-[(4-methylphenyl)thio]butanoic acid structure
18850-48-1 structure
Product Name:4-[(4-methylphenyl)thio]butanoic acid
CAS No:18850-48-1
MF:C11H14O2S
MW:210.292662143707
MDL:MFCD09810322
CID:882472
PubChem ID:276889
Update Time:2026-04-29

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

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.

Recommended suppliers
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd