HuagongsheHuagongshe Chemistry Print Report · For research reference only
5,6-Diamino-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
4,5-Diamino-6-thiouracil · 5,6-Diamino-4-thiouracil · 4,5-Diamino-6-mercapto-2-hydroxypyrimidine · 5,6-Diamino-3,4-dihydro-4-thioxo-2(1H)-pyrimidinone · 2(1H)-Pyrimidinone, 5,6-diamino-3,4-dihydro-4-thioxo-
Identifiers & Physical Properties
| CAS No. | 40848-33-7 |
|---|---|
| Molecular formula | C4H6N4OS |
| Average molar mass | 158.18 g/mol |
| Monoisotopic mass | 158.026232 g/mol |
| SMILES | Nc1[nH]c(=O)[nH]c(=S)c1N |
| InChIKey | GXWCTUJSEWZPNM-UHFFFAOYSA-N |
| PubChem CID | 16640892 |
| DTXSID | DTXSID30586347 |
Chemical & Physical Properties
| XLogP | -1.3 |
|---|---|
| Topological polar surface area | 125 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 233 |
| Melting point | >270°C |
| Density | 1.66±0.1 g/cm3(Predicted) |
| Solubility | DMSO (slightly) |
| pKa (acidity coefficient) | 12.83±0.60(Predicted) |
| Physical state | Solid |
| Color | Orange |
Applications & Uses
Uses
Intermediate for the synthesis of Thiouric Acid.