TFX
概要
| 表記: | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium |
| 別名: | Thioflavin T |
| 組成式: | C17 H19 N2 S |
| 電荷: | 1 |
| 化学式量: | 283.411 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 | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium |
| OpenEye OEToolkits | 1.7.0 | 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-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 | s2c1cc(ccc1[n+](c2c3ccc(N(C)C)cc3)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C |
| SMILES | CACTVS | 3.370 | CN(C)c1ccc(cc1)c2sc3cc(C)ccc3[n+]2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1 |
| InChIKey | InChI | 1.03 | FXEKRIDRIFBJOR-UHFFFAOYSA-N |
