5F5
Summary
| Name: | 3-(1,3-thiazol-2-yl)benzoic acid |
| Formula: | C10 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 205.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1,3-thiazol-2-yl)benzoic acid |
| OpenEye OEToolkits | 1.9.2 | 3-(1,3-thiazol-2-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(c1sccn1)cccc(c2)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.03 | BLFSSABBFANDKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2sccn2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2sccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)C(=O)O)c2nccs2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)C(=O)O)c2nccs2 |
