7-isocyano-3λ⁶-thiabicyclo[3.3.1]nonane-3,3,9-trione
Structure Info
- Chemspace ID
- CSMB20471687378 (Enamine MADE)
- IUPAC Name
- 7-isocyano-3λ⁶-thiabicyclo[3.3.1]nonane-3,3,9-trione
- Mol formula
- C9H11NO3S
- Mol weight
- 213 Da
- Catalog Number(s)
- BBV-1321049059
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -2.77
- Heavy atoms count
- 14
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.77777777777778
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB20471687378
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