1-[2-(Phenylthio)ethyl]piperidine
Basic information
- CAS
1209-11-6- Standard SMILES
c1ccc(SCCN2CCCCC2)cc1- InChIKey
HYNZWDJVGYCNJU-UHFFFAOYSA-N- Molecular formula
- C13H19NS
- Average molar mass
- 221.36 g/mol
- Monoisotopic mass
- 221.12382078
Names & identifiers
- Preferred name
- 1-[2-(Phenylthio)ethyl]piperidine
- IUPAC
- 1-(2-phenylsulfanylethyl)piperidine
Names & synonyms
1-[2-(Phenylthio)ethyl]piperidine1-[2-(phenylsulfanyl)ethyl]piperidineSCHEMBL11536449DTXSID101299930AKOS0172829851209-11-6
Database identifiers
- CAS
1209-11-6- PubChem CID
- 437338
- DTXSID
DTXSID101299930- Nikkaji
- J3.143.104B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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