UJD
Summary
| Name: | 1,3-dithiolane-2-carboxylic acid |
| Formula: | C4 H6 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 150.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dithiolane-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 1,3-dithiolane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C1SCCS1)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C4H6O2S2/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6) |
| InChIKey | InChI | 1.03 | DSOVOUOPKYLGID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1SCCS1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1SCCS1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CSC(S1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CSC(S1)C(=O)O |
