标识与物理属性
| CAS No. | 624723-98-4 |
|---|
| 分子式 | C28H22ClN3O2S2 |
|---|
| 平均分子量 | 532.1 g/mol |
|---|
| 单同位素质量 | 531.084197 g/mol |
|---|
| SMILES | COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)c3ccccc3)C2=O)cc1Cl |
|---|
| InChIKey | URXQERYXSOVXDI-XYGWBWBKSA-N |
|---|
| PubChem CID | 6516632 |
|---|
| EC No. | 637-904-5 |
|---|
化学与物理性质
| XLogP | 7.1 |
|---|
| 极性表面积 | 105 |
|---|
| 氢键供体 | 0 |
|---|
| 氢键受体 | 5 |
|---|
| 可旋转键 | 6 |
|---|
| 重原子 | 36 |
|---|
| 形式电荷 | 0 |
|---|
| 复杂度 | 830 |
|---|
安全与法规
| GHS 分类 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
