3MT
Summary
| Name: | 3-METHYLTHIAZOLIUM ION |
| Formula: | C4 H6 N S |
| Formal charge: | 1 |
| Formula weight: | 100.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-methyl-1,3-thiazol-3-ium |
| OpenEye OEToolkits | 1.5.0 | 3-methyl-1,3-thiazol-3-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | s1cc[n+](c1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[n+]1cscc1 |
| SMILES | CACTVS | 3.341 | C[n+]1cscc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[n+]1ccsc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[n+]1ccsc1 |
| InChI | InChI | 1.03 | InChI=1S/C4H6NS/c1-5-2-3-6-4-5/h2-4H,1H3/q+1 |
| InChIKey | InChI | 1.03 | PIDRHKDECUFWTG-UHFFFAOYSA-N |
