Phenylmethanesulfonic acid
Names and Identifiers of Phenylmethanesulfonic acid
CAS Number |
100-87-8 |
|---|---|
EC Number |
202-897-6 |
IUPAC Name |
phenylmethanesulfonic acid |
InChI |
InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10) |
InChIKey |
NIXKBAZVOQAHGC-UHFFFAOYSA-N |
Canonical SMILES |
C1=CC=C(C=C1)CS(=O)(=O)O |
UNII |
5BRP81V98H |
Physical and chemical properties of Phenylmethanesulfonic acid
Density |
1.385g/cm3 |
|---|---|
Exact Mass |
172.01900 |
LogP |
2.15520 |
Molecular Formula |
C7H8O3S |
Molecular Weight |
172.20200 |
PSA |
62.75000 |
Stability |
TSA-94/30 WAS STABLE AGAINST CRYSTALLIZATION BELOW 50 °C |
Vapour Pressure |
0.0000034 [mmHg] |
Applications of Phenylmethanesulfonic acid
Phenylmethanesulfonic acid has several applications across different fields:
- Chemical Industry: Used as a reagent in organic synthesis and as an intermediate for producing other sulfonic acids.
- Pharmaceuticals: It serves as a building block for various pharmaceuticals and biologically active compounds.
- Analytical Chemistry: Employed in titrations and as a standard in various analytical techniques due to its known acidity.
- Biochemistry: Utilized in enzyme assays and studies involving protein interactions due to its ability to modulate enzyme activity.
Interaction Studies of Phenylmethanesulfonic acid
Research has highlighted the interactions of phenylmethanesulfonic acid with various biological molecules:
- Enzyme Inhibition: It has been shown to inhibit certain enzymes, which can be beneficial for studying enzyme kinetics and mechanisms.
- Protein Binding: The compound may interact with proteins, affecting their structure and function, which is crucial for understanding biochemical pathways.
Further studies are needed to elucidate the full scope of interactions and their implications in biological systems.
Biological Activity of Phenylmethanesulfonic acid
Phenylmethanesulfonic acid exhibits various biological activities, primarily through its interactions with enzymes and proteins. It can act as an inhibitor or activator of specific enzymes, influencing metabolic pathways. The compound's acidic nature allows it to affect the ionization state of biomolecules, which can alter their function and stability under different pH conditions.
Additionally, studies have indicated that phenylmethanesulfonic acid may have potential therapeutic applications due to its ability to modulate biochemical pathways, although detailed mechanisms and effects on human health require further investigation.