Structure Info
- Chemspace ID
- CSMB00012683455 (Enamine MADE)
- MFCD
- MFCD23816633
- IUPAC Name
- 2-(3-methyl-4-nitrophenoxy)ethane-1-thiol
- Mol formula
- C9H11NO3S
- Mol weight
- 213 Da
- Catalog Number(s)
- BBV-42846036, CSC012683455
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.67
- 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
- CSMB00012683455
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