RTD
Summary
| Name: | (2R)-phenyl(sulfanyl)ethanoic acid |
| Synonyms: | alpha-mercaptophenylacetic acid, R-thiomandelic acid |
| Formula: | C8 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 168.213 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-phenyl(sulfanyl)ethanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-phenyl-2-sulfanyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(S)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | QYIGFZOHYGYBLX-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@H](S)c1ccccc1 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH](S)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)[C@H](C(=O)O)S |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(C(=O)O)S |
