Chemical Properties
| Melting point | 172-175℃ |
| Boiling point | 351.3±52.0 °C(Predicted) |
| Density | 1.373±0.06 g/cm3(Predicted) |
| solubility | DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2) (1:10): 0.1 mg/ml; Ethanol: 0.25 mg/ml |
| form | A crystalline solid |
| pka | 12.02±0.29(Predicted) |
| InChI | 1S/C6H7N3S/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10) |
| InChIKey | LCKBJNNMWMUYAB-UHFFFAOYSA-N |
| SMILES | NC(=S)c1ccc(N)nc1 |
Safety Information
| Hazard Codes | T |
| Risk Statements | 25-41-43 |
| Safety Statements | 26-36/37/39 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Dam. 1 Skin Sens. 1 |
