4MI
Summary
| Name: | 4-methylsulfanylbenzoic acid |
| Formula: | C8 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 168.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-methylsulfanylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | KWHCPERWLHBLOT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CSc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CSc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CSc1ccc(cc1)C(=O)O |
