DTI
Summary
| Name: | 3,4-DIMETHYLTHIAZOLIUM ION |
| Formula: | C5 H8 N S |
| Formal charge: | 1 |
| Formula weight: | 114.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-dimethyl-1,3-thiazol-3-ium |
| OpenEye OEToolkits | 1.7.6 | 3,4-dimethyl-1,3-thiazol-3-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | s1cc([n+](c1)C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H8NS/c1-5-3-7-4-6(5)2/h3-4H,1-2H3/q+1 |
| InChIKey | InChI | 1.03 | RHRPPNDIWVFSRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1csc[n+]1C |
| SMILES | CACTVS | 3.370 | Cc1csc[n+]1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1csc[n+]1C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1csc[n+]1C |
