6-Amino-2-thiouracil
Names and Identifiers of 6-Amino-2-thiouracil
CAS Number |
1004-40-6 |
|---|---|
EC Number |
213-722-8 |
MDL Number |
MFCD01099687 |
IUPAC Name |
6-amino-2-sulfanylidene-1H-pyrimidin-4-one |
InChI |
InChI=1S/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9) |
InChIKey |
YFYYRKDBDBILSD-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(NC(=S)NC1=O)N |
UNSPSC Code |
12352100 |
Physical and chemical properties of 6-Amino-2-thiouracil
Acidity coefficient |
7.92±0.20(Predicted) |
|---|---|
Boiling Point |
454.7±48.0 °C at 760 mmHg |
Density |
1.6±0.1 g/cm3 |
Exact Mass |
143.015335 |
Flash Point |
228.8±29.6 °C |
Index of Refraction |
1.761 |
LogP |
-2.99 |
Melting Point |
>300ºC |
Molecular Formula |
C4H5N3OS |
Molecular Weight |
143.167 |
PSA |
110.83000 |
Storage condition |
Keep in dark place,Inert atmosphere,Room temperature |
Vapour Pressure |
0.0±1.2 mmHg at 25°C |
Water Solubility |
256.3mg/L(25 ºC) |
Safety Information of 6-Amino-2-thiouracil
Applications of 6-Amino-2-thiouracil
The applications of 6-amino-2-thiouracil are diverse:
- Pharmaceuticals: It is primarily used as an intermediate in the synthesis of antiviral and antimicrobial agents.
- Research: The compound serves as a model compound in studies related to nucleic acid metabolism and enzyme inhibition.
- Agricultural Chemistry: It may have potential applications in developing agrochemicals due to its biological activity against pathogens.
Interaction Studies of 6-Amino-2-thiouracil
Interaction studies involving 6-amino-2-thiouracil often focus on its binding affinity with various biological targets such as enzymes involved in nucleic acid synthesis. For instance, it has shown potential as an inhibitor of certain RNA polymerases, which could be leveraged for antiviral drug development. Additionally, studies on its interactions with DNA and RNA suggest that it may interfere with nucleic acid structure and function, contributing to its biological effects.
Biological Activity of 6-Amino-2-thiouracil
6-Amino-2-thiouracil exhibits significant biological activity, particularly in the fields of medicinal chemistry and pharmacology. It has been studied for its potential antiviral and antimicrobial properties. The compound serves as a precursor for synthesizing various bioactive molecules, including methylenebis(2-thiouracils), which have demonstrated antiviral activity. Additionally, its derivatives have been explored for their potential use in treating conditions such as cancer and infections due to their ability to inhibit nucleic acid synthesis.
Physical sample testing spectrum (NMR) of 6-Amino-2-thiouracil
