3R6
Summary
| Name: | 2-hydroxy-5-(methylsulfanyl)benzoic acid |
| Formula: | C8 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 184.212 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxy-5-(methylsulfanyl)benzoic acid |
| OpenEye OEToolkits | 1.9.2 | 5-methylsulfanyl-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(SC)ccc1O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O3S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | DATDARDTUZHWMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(O)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CSc1ccc(O)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CSc1ccc(c(c1)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CSc1ccc(c(c1)C(=O)O)O |
