Structure Info
- Chemspace ID
- CSMB20462132471 (Enamine MADE)
- IUPAC Name
- 4,4-dioxo-1,4λ⁶-oxathiane-3-carbonitrile
- Mol formula
- C5H7NO3S
- Mol weight
- 161 Da
- Catalog Number(s)
- BBV-1310499978
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.16
- Heavy atoms count
- 10
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.8
- Polar surface area (Å)
- 67
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB20462132471
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