Structure Info
- Chemspace ID
- CSMB00116176719 (Enamine MADE)
- IUPAC Name
- methyl 2-[(S)-amino(4-bromo-5-methylthiophen-2-yl)methyl]butanoate
- Mol formula
- C11H16BrNO2S
- Mol weight
- 306 Da
- Catalog Number(s)
- BBV-151196356, CSC116176719
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.33
- Heavy atoms count
- 16
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.545
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00116176719
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