Structure Info
- Chemspace ID
- CSMB00042861041 (Enamine MADE)
- IUPAC Name
- 2,2-dioxo-1,3-dihydro-2λ⁶-benzothiophene-1-carbonitrile
- Mol formula
- C9H7NO2S
- Mol weight
- 193 Da
- Catalog Number(s)
- BBV-95112601, CSC042861041, FCH6272369
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.53
- Heavy atoms count
- 13
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00042861041
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