Structure Info
- Chemspace ID
- CSSS00011197462 (In-Stock Screening Compounds)
- CAS
- 1155609-30-5
- MFCD
- MFCD12179911
- IUPAC Name
- 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(methylsulfanyl)ethan-1-one
- Mol formula
- C9H18N2O2S
- Mol weight
- 218 Da
- Catalog Number(s)
- BBV-24877939, CSC011197462, CSCR00001322341, Z253952144, a1_57369_17593, m_527_283186_237535, m_527____283186____237535
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.81
- Heavy atoms count
- 14
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.888
- Polar surface area (Å)
- 44
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00011197462
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