3FH
概要
| 表記: | 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione |
| 組成式: | C6 H4 F3 N O S |
| 電荷: | 0 |
| 化学式量: | 195.162 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione |
| OpenEye OEToolkits | 1.7.6 | 1-oxidanyl-3-(trifluoromethyl)pyridine-2-thione |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | S=C1C(=CC=CN1O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C6H4F3NOS/c7-6(8,9)4-2-1-3-10(11)5(4)12/h1-3,11H |
| InChIKey | InChI | 1.03 | IILCCFILLZAKJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C=CC=C(C1=S)C(F)(F)F |
| SMILES | CACTVS | 3.385 | ON1C=CC=C(C1=S)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=S)C(=C1)C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=S)C(=C1)C(F)(F)F)O |
