Basic information
- Standard SMILES
C[n+]1ccccc1SCc1ccncc1- InChIKey
BWBCREPESBFGMX-UHFFFAOYSA-N- Molecular formula
- C12H13N2S+
- Average molar mass
- 217.31 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-2-(pyridin-4-ylmethylsulfanyl)pyridin-1-ium
- IUPAC
- 1-methyl-2-(pyridin-4-ylmethylsulfanyl)pyridin-1-ium
Database identifiers
- PubChem CID
- 13434874
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 180
Related reactions
1 records
Compound notes
Loading…