A1EM7
Summary
| Name: | 2,4-dimethyl-1,3-thiazole-5-carboxylic acid |
| Formula: | C6 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 157.19 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,4-dimethyl-1,3-thiazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H7NO2S/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9) |
| InChIKey | InChI | 1.06 | MQGBARXPCXAFRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(C(O)=O)c(C)n1 |
| SMILES | CACTVS | 3.385 | Cc1sc(C(O)=O)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)C)C(=O)O |
