| CAS号 | 407582-49-4 |
| SMILES | Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C(=O)O)C(=O)O |
| Inchi | InChI=1S/C16H14N2O5S/c1-8(15(19)20)7-23-12-4-3-10(5-11(12)6-17)14-18-9(2)13(24-14)16(21)22/h3-5,8H,7H2,1-2H3,(H,19,20)(H,21,22) |
| InchiKey | LCBACLAPKJRMIF-UHFFFAOYSA-N |
| 分子式 Formula | C16H14N2O5S |
| 分子量 Molecular Weight | 346.36 |
| 闪点 FP | 322.5±34.3 ℃ |
| 熔点 Melting point | >200℃ (dec.) |
| 沸点 Boiling point | 609.7±65.0 ℃ at 760 mmHg |
| Polarizability极化度 | 33.6±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.8 mmHg at 25℃ |
| 溶解度Solubility | DMSO (Slightly), Methanol (Slightly) |
| 储藏条件 Storage conditions | Hygroscopic, Refrigerator, under inert atmosphere |
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