Structure Info
- Chemspace ID
- CSMB00029332767 (Enamine MADE)
- MFCD
- MFCD32753965
- IUPAC Name
- 1,1-dioxo-1λ⁶-thietane-2-carbonitrile
- Mol formula
- C4H5NO2S
- Mol weight
- 131 Da
- Catalog Number(s)
- BBV-94892463, CSC029332767, FCH6066952
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.06
- Heavy atoms count
- 8
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.75
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00029332767
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