2-[2-[2,5-Di(propan-2-yl)phenyl]sulfanylethyl]pyridin-1-ium
Basic information
- CAS
6710-89-0- Standard SMILES
CC(C)c1ccc(C(C)C)c(SCCc2cccc[nH+]2)c1- InChIKey
CNMQVBWGPHFTFE-UHFFFAOYSA-O- Molecular formula
- C19H26NS+
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.17859601
Names & identifiers
- Preferred name
- 2-[2-[2,5-Di(propan-2-yl)phenyl]sulfanylethyl]pyridin-1-ium
- IUPAC
- 2-[2-[2,5-di(propan-2-yl)phenyl]sulfanylethyl]pyridin-1-ium
Names & synonyms
6710-89-02-[2-[2,5-di(propan-2-yl)phenyl]sulfanylethyl]pyridin-1-iumDTXSID904102952-(2-{[2,5-Di(propan-2-yl)phenyl]sulfanyl}ethyl)pyridin-1-ium
Database identifiers
- CAS
6710-89-0- PubChem CID
- 5211752
- DTXSID
DTXSID90410295
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…