Structure Info
- Chemspace ID
- CSMB00055135879 (Enamine MADE)
- IUPAC Name
- 1,1-dioxo-2-(propan-2-yl)-1λ⁶-thiolane-2-carbonitrile
- Mol formula
- C8H13NO2S
- Mol weight
- 187 Da
- Catalog Number(s)
- BBV-95059245, CSC055135879, FCH6111279
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.78
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.875
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00055135879
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