Basic information
- Standard SMILES
c1cc(Sc2cccc3cnccc23)c2ccncc2c1- InChIKey
ZXVQWLCQVFCIGD-UHFFFAOYSA-N- Molecular formula
- C18H12N2S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.07211956
Names & identifiers
- Preferred name
- 5-(5-Isoquinolylsulfanyl)isoquinoline
- IUPAC
- 5-isoquinolin-5-ylsulfanylisoquinoline
Names & synonyms
SCHEMBL6968741ZXVQWLCQVFCIGD-UHFFFAOYSA-N5-(5-isoquinolylsulfanyl)isoquinoline
Database identifiers
- PubChem CID
- 21846973
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
Related reactions
2 records
Compound notes
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