Basic information
- Standard SMILES
CC(C)CCSc1cccc(C#N)n1- InChIKey
HMXPTRYZCWPGNE-UHFFFAOYSA-N- Molecular formula
- C11H14N2S
- Average molar mass
- 206.31 g/mol
Names & identifiers
- Preferred name
- 2-Cyano-6-isopentylthiopyridine
- IUPAC
- 6-(3-methylbutylsulfanyl)pyridine-2-carbonitrile
Names & synonyms
SCHEMBL29599852-Cyano-6-isopentylthiopyridineHMXPTRYZCWPGNE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22939337
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Related reactions
5 records
Compound notes
Loading…