識別子と物理属性
| CAS No. | 2384522-64-7 |
|---|
| 分子式 | C5H6Cl2N2O2S |
|---|
| 平均分子量 | 229.08 g/mol |
|---|
| 単同位体質量 | 227.952704 g/mol |
|---|
| SMILES | Cn1ncc(S(=O)(=O)Cl)c1CCl |
|---|
| InChIKey | AYSYMRGCYALSJK-UHFFFAOYSA-N |
|---|
| PubChem CID | 145915744 |
|---|
| EC No. | 979-374-0 |
|---|
化学・物理的性質
| XLogP | 0.7 |
|---|
| 極性表面積 | 60.3 |
|---|
| 水素結合供与体数 | 0 |
|---|
| 水素結合受容体数 | 3 |
|---|
| 回転可能結合数 | 2 |
|---|
| 重原子数 | 12 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 251 |
|---|
安全性と法規制
| GHS 分類 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
