Basic information
- Standard SMILES
N#Cc1cccc(SCc2ccccc2)n1- InChIKey
UGIADYUSLNRVGR-UHFFFAOYSA-N- Molecular formula
- C13H10N2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.0564695
Names & identifiers
- Preferred name
- 6-(Benzylthio)picolinonitrile
- IUPAC
- 6-benzylsulfanylpyridine-2-carbonitrile
Names & synonyms
6-(Benzylthio)picolinonitrile501378-85-42-Benzylthio-6-cyanopyridineSCHEMBL2953328UGIADYUSLNRVGR-UHFFFAOYSA-NMFCD201905886-(Benzylthio)pyridine-2-carbonitrileAKOS013920004SY508989
Database identifiers
- PubChem CID
- 22939622
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
5 records
Compound notes
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