5-cyano-2,4-dioxo-3-azaspiro[5.5]undecane-1-carbothioic S-acid
Chemical Structure Depiction of
5-cyano-2,4-dioxo-3-azaspiro[5.5]undecane-1-carbothioic S-acid
5-cyano-2,4-dioxo-3-azaspiro[5.5]undecane-1-carbothioic S-acid
Compound characteristics
| Compound ID: | 8013-0633 |
| Compound Name: | 5-cyano-2,4-dioxo-3-azaspiro[5.5]undecane-1-carbothioic S-acid |
| Molecular Weight: | 266.32 |
| Molecular Formula: | C12 H14 N2 O3 S |
| Smiles: | C1CCC2(CC1)C(C#N)C(NC(C2C(=O)S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1656 |
| logD: | -4.0437 |
| logSw: | -1.3625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.912 |
| InChI Key: | SGJIMGBTSYINKK-UHFFFAOYSA-N |