structure of (Tetrahydro-2H-thiopyran-4-yl)methanol

(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

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

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

Physical sample testing spectrum (NMR) of (Tetrahydro-2H-thiopyran-4-yl)methanol

Retrosynthesis analysis of (Tetrahydro-2H-thiopyran-4-yl)methanol

  • Route#1

    Cas:89489-53-2
    Cas:100277-27-8
  • Route#2

    Cas:856939-74-7
    Cas:100277-27-8
  • Route#3

    Cas:128094-82-6
    Cas:100277-27-8