5TS
Summary
| Name: | 5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid |
| Formula: | C7 H5 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 231.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid |
| OpenEye OEToolkits | 1.7.2 | 5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c2sc(c1oncc1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO4S2/c9-14(10,11)7-2-1-6(13-7)5-3-4-8-12-5/h1-4H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | YJKUMLQWMFTFKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[S](=O)(=O)c1sc(cc1)c2oncc2 |
| SMILES | CACTVS | 3.370 | O[S](=O)(=O)c1sc(cc1)c2oncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(sc1c2ccno2)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(sc1c2ccno2)S(=O)(=O)O |
