Chemical Properties
| Melting point | 196-197 °C(Solv: ethanol (64-17-5); 1,4-dioxane (123-91-1)) |
| Boiling point | 505.9±60.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |
| storage temp. | -20°C (des.) |
| solubility | Soluble in DMSO (up to 50 mg/ml) or in Ethanol (up to 8 mg/ml with warming). |
| form | solid |
| pka | 10.33±0.20(Predicted) |
| color | Off-white |
| Stability | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month. |
| InChI | InChI=1S/C20H17NO3S/c1-14-10-12-15(13-11-14)25(22,23)21-20-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)20/h2-13,20-21H,1H3 |
| InChIKey | OZCQEUZTOAAWDK-UHFFFAOYSA-N |
| SMILES | C1(S(NC2C3=C(C=CC=C3)OC3=C2C=CC=C3)(=O)=O)=CC=C(C)C=C1 |
