T8O
概要
| 表記: | 4-[(difluoromethyl)sulfanyl]aniline |
| 組成式: | C7 H7 F2 N S |
| 電荷: | 0 |
| 化学式量: | 175.199 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 | 4-[(difluoromethyl)sulfanyl]aniline |
| OpenEye OEToolkits | 2.0.7 | 4-[bis(fluoranyl)methylsulfanyl]aniline |
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 | FC(F)Sc1ccc(N)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2 |
| InChIKey | InChI | 1.06 | ODJCIHKBMUREOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(SC(F)F)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(SC(F)F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)SC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)SC(F)F |
