UJM
Summary
| Name: | (2S)-thiolane-2-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 | (2S)-thiolane-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-thiolane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(C1SCCC1)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O2S/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | MZOYMQRKTJRHGJ-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCS1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCS1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H](SC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(SC1)C(=O)O |
