A1CD1
Summary
| Name: | 2-(5-methylthiophen-2-yl)ethan-1-amine |
| Formula: | C7 H11 N S |
| Formal charge: | 0 |
| Formula weight: | 141.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(5-methylthiophen-2-yl)ethan-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | 2-(5-methylthiophen-2-yl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc(CCN)s1 |
| InChI | InChI | 1.06 | InChI=1S/C7H11NS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5,8H2,1H3 |
| InChIKey | InChI | 1.06 | VAYWLNRNWZOIAG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CCN)cc1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CCN)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(s1)CCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(s1)CCN |
