XH7
Summary
| Name: | (3R)-thiolane-3-carboxylic acid |
| Formula: | C5 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 132.181 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-thiolane-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-thiolane-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CSCC1 |
| InChI | InChI | 1.03 | InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | BSNQHVPRAPQLSW-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCSC1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCSC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CSC[C@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CSCC1C(=O)O |
