PDB CCD ID: | RTD |
Number of entries in BioLiP: | 1 |
Chemical formula: | C8 H8 O2 S |
InChI: | 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: | QYIGFZOHYGYBLX-SSDOTTSWSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | c1ccc(cc1)C(C(=O)O)S | CACTVS 3.370 | OC(=O)[CH](S)c1ccccc1 | CACTVS 3.370 | OC(=O)[C@H](S)c1ccccc1 | OpenEye OEToolkits 1.7.6 | c1ccc(cc1)[C@H](C(=O)O)S | ACDLabs 12.01 | O=C(O)C(S)c1ccccc1 |
|
Name: | (2R)-phenyl(sulfanyl)ethanoic acid; alpha-mercaptophenylacetic acid, R-thiomandelic acid |
ChEMBL: | CHEMBL3809419 |
ZINC: | ZINC000012375962 |