JBB
Summary
| Name: | 3-(thiophen-2-ylsulfanylmethyl)benzoic acid |
| Formula: | C12 H10 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 250.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(thiophen-2-ylsulfanylmethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H10O2S2/c13-12(14)10-4-1-3-9(7-10)8-16-11-5-2-6-15-11/h1-7H,8H2,(H,13,14) |
| InChIKey | InChI | 1.03 | WSMPZJFCOIZVQR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(CSc2sccc2)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(CSc2sccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)CSc2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)CSc2cccs2 |
