Thiazole-5-carboxaldehyde
CAS No.:
1003-32-3
M. Wt:
113.14
M. Fa:
C4H3NOS
InChI Key:
ZXRLWHGLEJGMNO-UHFFFAOYSA-N
Appearance:
Off white solid
Names and Identifiers of Thiazole-5-carboxaldehyde
CAS Number |
1003-32-3 |
|---|---|
EC Number |
627-142-1 |
MDL Number |
MFCD02179516 |
IUPAC Name |
1,3-thiazole-5-carbaldehyde |
InChI |
InChI=1S/C4H3NOS/c6-2-4-1-5-3-7-4/h1-3H |
InChIKey |
ZXRLWHGLEJGMNO-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(SC=N1)C=O |
UNSPSC Code |
12352100 |
Physical and chemical properties of Thiazole-5-carboxaldehyde
Acidity coefficient |
0.94±0.10(Predicted) |
|---|---|
Boiling Point |
222.4±13.0 °C at 760 mmHg |
Density |
1.4±0.1 g/cm3 |
Exact Mass |
112.993530 |
Flash Point |
88.3±19.8 °C |
Index of Refraction |
1.621 |
LogP |
-0.14 |
Melting Point |
229 °C (decomp) |
Molecular Formula |
C4H3NOS |
Molecular Weight |
113.14 |
PSA |
58.20000 |
Storage condition |
Keep in dark place,Sealed in dry,Room Temperature |
Vapour Pressure |
0.1±0.4 mmHg at 25°C |
Safety Information of Thiazole-5-carboxaldehyde
Applications of Thiazole-5-carboxaldehyde
Thiazole-5-carboxaldehyde has diverse applications:
- Pharmaceuticals: Due to its biological activities, it is explored as a potential lead compound in drug development.
- Agricultural Chemicals: Its antimicrobial properties make it suitable for use in agricultural formulations.
- Chemical Intermediates: It serves as an intermediate in the synthesis of other organic compounds, including dyes and agrochemicals.
Interaction Studies of Thiazole-5-carboxaldehyde
Research on the interactions of thiazole-5-carboxaldehyde with biological systems has revealed:
- Enzyme Inhibition: Studies indicate that it may inhibit specific enzymes involved in metabolic pathways, which could be useful in drug design.
- Receptor Binding: Investigations into its binding affinity to various receptors have shown promising results for therapeutic applications.
Biological Activity of Thiazole-5-carboxaldehyde
Thiazole-5-carboxaldehyde exhibits notable biological activities, including:
- Antimicrobial Properties: Studies have shown that it possesses antimicrobial activity against various bacterial strains, making it a candidate for pharmaceutical applications.
- Anticancer Activity: Preliminary research indicates potential anticancer properties, particularly in inhibiting the growth of certain cancer cell lines.
- Toxicity: The compound is classified as harmful if swallowed and may cause allergic skin reactions, necessitating careful handling in laboratory settings .
Physical sample testing spectrum (NMR) of Thiazole-5-carboxaldehyde
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