HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Naphthyl-1,2,3,4-thiatriazol-5-amine
Einecs 233-704-3 · N-naphthalen-1-ylthiatriazol-5-amine · N-naphthyl-1,2,3,4-thiatriazol-5-amine · 5-(1-naphthylamino)-1,2,3,4-thiatriazole · N-(1-Naphtyl)-1,2,3,4-thiatriazol-5-amine · 1,2,3,4-Thiatriazol-5-amine, N-1-naphthalenyl-
Identifiers & Physical Properties
| CAS No. | 10320-97-5 |
|---|---|
| Molecular formula | C11H8N4S |
| Average molar mass | 228.28 g/mol |
| Monoisotopic mass | 228.04696726 g/mol |
| SMILES | c1ccc2c(Nc3nnns3)cccc2c1 |
| InChIKey | NRPSYMDXSNYVNG-UHFFFAOYSA-N |
| PubChem CID | 82545 |
| EC No. | 233-704-3 |
| DTXSID | DTXSID50145697 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 78.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 238 |
| Melting point | 136 °C (decomp) |
| Boiling point | 406.9±28.0 °C(Predicted) |
| Density | 1.438±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -4.43±0.10(Predicted) |