Structure Info
- Chemspace ID
- CSCS00135207607 (Synthesis)
- IUPAC Name
- 1-(2-bromo-4-methyl-3-sulfanylphenyl)ethan-1-one
- Mol formula
- C9H9BrOS
- Mol weight
- 245 Da
- Catalog Number(s)
- BBV-148279907, CSC135207607, FCH19952628
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.91
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00135207607
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