HZH
概要
| 表記: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one |
| 別名: | 3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP |
| 組成式: | C11 H11 F3 O S |
| 電荷: | 0 |
| 化学式量: | 248.265 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one |
| OpenEye OEToolkits | 1.5.0 | 1,1,1-trifluoro-3-phenethylsulfanyl-propan-2-one |
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 | 10.04 | FC(F)(F)C(=O)CSCCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | FC(F)(F)C(=O)CSCCc1ccccc1 |
| SMILES | CACTVS | 3.341 | FC(F)(F)C(=O)CSCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCSCC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCSCC(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 |
| InChIKey | InChI | 1.03 | UJAGOKUXPHIFEB-UHFFFAOYSA-N |
