A1AQF
Summary
| Name: | (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile |
| Formula: | C5 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 145.18 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-1,1-bis(oxidanylidene)thiolane-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CC1CCS(=O)(=O)C1 |
| InChI | InChI | 1.06 | InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | CHNZCZASRHSRAC-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)CC[C@H](C1)C#N |
| SMILES | CACTVS | 3.385 | O=[S]1(=O)CC[CH](C1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CS(=O)(=O)C[C@@H]1C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CS(=O)(=O)CC1C#N |
