| 中文别名 | CDKI-73(cas:1421693-22-2) |
| 英文别名 | CDKI-73,1421693-22-2 |
| CAS号 | 1421693-22-2 |
| SMILES | CNC1=NC(C)=C(C2=C(F)C=NC(NC3=CC(S(=O)(N)=O)=CC=C3)=N2)S1 |
| Inchi | InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22) |
| InchiKey | GAIOPWBQKZMUNO-UHFFFAOYSA-N |
| 分子式 Formula | C15H15FN6O2S2 |
| 分子量 Molecular Weight | 394.45 |
| 闪点 FP | 342.6±34.3 ℃ |
| 沸点 Boiling point | 642.9±65.0 ℃ at 760 mmHg |
| Polarizability极化度 | 38.4±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.9 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 52 mg/mL(131.83 mM)H2O< 0.1 mg/mL(insoluble)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | Solid |
| 储藏条件 Storage conditions | 4℃, stored under nitrogen * In solvent : -80℃, 6 months月; -20℃, 1 month月 (stored under nitrogen) |
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