Structure Info
- Chemspace ID
- CSMB00012436249 (Enamine MADE)
- MFCD
- MFCD21719479
- IUPAC Name
- 2-methanesulfonyl-3-methylbutanenitrile
- Mol formula
- C6H11NO2S
- Mol weight
- 161 Da
- Catalog Number(s)
- BBV-41521419, CSC012436249, CSCR00715616237
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.15
- Heavy atoms count
- 10
- Rotatable bond count
- 2
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.833
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00012436249
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