Structure Info
- Chemspace ID
- CSMB00045433381 (Enamine MADE)
- MFCD
- MFCD32764189
- IUPAC Name
- 2-methyl-1,1-dioxo-1λ⁶-thietane-2-carbonitrile
- Mol formula
- C5H7NO2S
- Mol weight
- 145 Da
- Catalog Number(s)
- BBV-94903461, CSC045433381, FCH6011301
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.62
- Heavy atoms count
- 9
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.8
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00045433381
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