XFV
Summary
| Name: | 1lambda~6~-thietane-1,1-dione |
| Formula: | C3 H6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 106.144 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1lambda~6~-thietane-1,1-dione |
| OpenEye OEToolkits | 2.0.7 | thietane 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S1(CCC1)=O |
| InChI | InChI | 1.03 | InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2 |
| InChIKey | InChI | 1.03 | FCFMKFHUNDYKEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)CCC1 |
| SMILES | CACTVS | 3.385 | O=[S]1(=O)CCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CS(=O)(=O)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CS(=O)(=O)C1 |
