V1A
概要
| 表記: | S-(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate |
| 組成式: | C8 H15 N2 O3 S2 |
| 電荷: | 0 |
| 化学式量: | 251.346 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 | S-(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl) methanesulfonothioate |
| OpenEye OEToolkits | 1.7.6 | 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-4-methylsulfonylsulfanyl-imidazole |
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 | ON1C(C(SS(=O)(=O)C)=NC1(C)C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H16N2O3S2/c1-7(2)6(14-15(5,12)13)9-8(3,4)10(7)11/h11H,1-5H3 |
| InChIKey | InChI | 1.03 | GGUBULNJTWFONN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)N=C(S[S](C)(=O)=O)C(C)(C)N1[O] |
| SMILES | CACTVS | 3.370 | CC1(C)N=C(S[S](C)(=O)=O)C(C)(C)N1[O] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C(=NC(N1[O])(C)C)SS(=O)(=O)C)C |
