RX7
概要
| 表記: | 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol |
| 組成式: | C10 H17 N O S |
| 電荷: | 0 |
| 化学式量: | 199.313 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-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol |
| OpenEye OEToolkits | 2.0.6 | 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propan-1-ol |
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 | c1(c(C)ccs1)CNC(C)(C)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H17NOS/c1-8-4-5-13-9(8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3 |
| InChIKey | InChI | 1.03 | IFQLAGXBYFTXBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccsc1CNC(C)(C)CO |
| SMILES | CACTVS | 3.385 | Cc1ccsc1CNC(C)(C)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccsc1CNC(C)(C)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccsc1CNC(C)(C)CO |
