Pyridine, 4-(2-(pentylthio)ethyl)-
Basic information
- CAS
134480-44-7- Standard SMILES
CCCCCSCCc1ccncc1- InChIKey
QHTNTEFDGFBAEA-UHFFFAOYSA-N- Molecular formula
- C12H19NS
- Average molar mass
- 209.35 g/mol
- Monoisotopic mass
- 209.12382078
Names & identifiers
- Preferred name
- Pyridine, 4-(2-(pentylthio)ethyl)-
- IUPAC
- 4-(2-pentylsulfanylethyl)pyridine
Names & synonyms
Pyridine, 4-(2-(pentylthio)ethyl)-4-(2-(Pentylthio)ethyl)pyridineBRN 4800473134480-44-7DTXSID30158740RefChem:376799DTXCID30812314-[2-(Pentylsulfanyl)ethyl]pyridineSCHEMBL27376808
Database identifiers
- CAS
134480-44-7- PubChem CID
- 3077488
- DTXSID
DTXSID30158740- Nikkaji
- J419.138B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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