(Tetrahydro-2H-thiopyran-4-yl)methanol
CAS No.:
100277-27-8
M. Wt:
132.22400
M. Fa:
C6H12OS
InChI Key:
LMVCLDAMMNHILO-UHFFFAOYSA-N
Appearance:
yellow oil
Names and Identifiers of (Tetrahydro-2H-thiopyran-4-yl)methanol
CAS Number |
100277-27-8 |
|---|---|
EC Number |
641-345-2 |
MDL Number |
MFCD09966150 |
IUPAC Name |
thian-4-ylmethanol |
InChI |
InChI=1S/C6H12OS/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2 |
InChIKey |
LMVCLDAMMNHILO-UHFFFAOYSA-N |
Canonical SMILES |
C1CSCCC1CO |
UNSPSC Code |
12352100 |
Physical and chemical properties of (Tetrahydro-2H-thiopyran-4-yl)methanol
Acidity coefficient |
14.83±0.10(Predicted) |
|---|---|
Boiling Point |
233.4ºC at 760mmHg |
Density |
1.061g/cm3 |
Exact Mass |
132.06100 |
Flash Point |
114.2ºC |
Index of Refraction |
1.513 |
LogP |
1.12190 |
Molecular Formula |
C6H12OS |
Molecular Weight |
132.22400 |
PSA |
45.53000 |
Vapour Pressure |
0.0104mmHg at 25°C |
Safety Information of (Tetrahydro-2H-thiopyran-4-yl)methanol
Applications of (Tetrahydro-2H-thiopyran-4-yl)methanol
(Tetrahydro-2H-thiopyran-4-yl)methanol has potential applications across various domains:
- Pharmaceuticals: As a building block for synthesizing biologically active compounds.
- Agriculture: Possible use in developing agrochemicals.
- Materials Science: Its unique structure may lend itself to applications in polymer chemistry or as a precursor for functional materials.
The ongoing research into its properties could expand its applicability in different sectors.
Interaction Studies of (Tetrahydro-2H-thiopyran-4-yl)methanol
Interaction studies involving (tetrahydro-2H-thiopyran-4-yl)methanol focus primarily on its reactivity with biological macromolecules such as proteins and nucleic acids. Preliminary findings suggest:
- Binding Affinity: Investigating how this compound interacts with specific enzymes or receptors could reveal its potential as a lead compound in drug design.
- Metabolic Pathways: Understanding how this compound is metabolized in biological systems is crucial for assessing its pharmacokinetic properties.
Further studies are necessary to elucidate these interactions comprehensively.
Biological Activity of (Tetrahydro-2H-thiopyran-4-yl)methanol
Research into the biological activity of (tetrahydro-2H-thiopyran-4-yl)methanol indicates potential pharmacological properties. Compounds with similar structures have been noted for their:
- Antimicrobial Activity: Some derivatives exhibit efficacy against various bacterial strains.
- Antioxidant Properties: The presence of the thiopyran ring may contribute to free radical scavenging abilities.
- Cytotoxic Effects: Preliminary studies suggest that certain analogs may induce apoptosis in cancer cell lines.
Physical sample testing spectrum (NMR) of (Tetrahydro-2H-thiopyran-4-yl)methanol
