A1CFW
Summary
| Name: | (E)-2-(5-methylthiophen-2-yl)ethen-1-amine |
| Formula: | C7 H9 N S |
| Formal charge: | 0 |
| Formula weight: | 139.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (E)-2-(5-methylthiophen-2-yl)ethen-1-amine |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-2-(5-methylthiophen-2-yl)ethenamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc(\C=C\N)s1 |
| InChI | InChI | 1.06 | InChI=1S/C7H9NS/c1-6-2-3-7(9-6)4-5-8/h2-5H,8H2,1H3/b5-4+ |
| InChIKey | InChI | 1.06 | MXSLNNGXMQLNAY-SNAWJCMRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(/C=C/N)cc1 |
| SMILES | CACTVS | 3.385 | Cc1sc(C=CN)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(s1)/C=C/N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(s1)C=CN |
