Structure Info
- Chemspace ID
- CSMB00103007284 (Enamine MADE)
- CAS
- 2228423-27-4
- IUPAC Name
- 2-(5-methoxy-2-nitrophenyl)ethane-1-thiol
- Mol formula
- C9H11NO3S
- Mol weight
- 213 Da
- Catalog Number(s)
- BBV-137207315, CSC103007284, EN300-1788476, IMED3271459639
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.53
- Heavy atoms count
- 14
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00103007284
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