QU5
Summary
| Name: | 4-methoxycyclohexa-2,5-diene-1-thione |
| Formula: | C7 H10 O S |
| Formal charge: | 0 |
| Formula weight: | 142.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-methoxycyclohexa-2,5-diene-1-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H10OS/c1-8-6-2-4-7(9)5-3-6/h2-7,9H,1H3/t6-,7+ |
| InChIKey | InChI | 1.03 | ODGVEVKXIQCVID-KNVOCYPGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1C=C[C@@H](S)C=C1 |
| SMILES | CACTVS | 3.385 | CO[CH]1C=C[CH](S)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC1C=CC(C=C1)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1C=CC(C=C1)S |
