Structure Info
- Chemspace ID
- CSMB00103007285 (Enamine MADE)
- CAS
- 2228274-36-8
- IUPAC Name
- (5-methoxy-2-nitrophenyl)methanethiol
- Mol formula
- C8H9NO3S
- Mol weight
- 199 Da
- Catalog Number(s)
- BBV-137207316, CSC103007285, EN300-1788477, IMED3271459640
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.24
- Heavy atoms count
- 13
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00103007285
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