GIW
Summary
| Name: | 1,3-dithiane-2-carboxylic acid |
| Formula: | C5 H8 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 164.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dithiane-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1,3-dithiane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1SCCCS1 |
| InChI | InChI | 1.06 | InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7) |
| InChIKey | InChI | 1.06 | BZBYEAWKJNCPLB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1SCCCS1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1SCCCS1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CSC(SC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CSC(SC1)C(=O)O |
