Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCCSc1cccnc1- InChIKey
CWIOIYMVAADHGW-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Phthalimidobutylthio)pyridine
- IUPAC
- 2-(4-pyridin-3-ylsulfanylbutyl)isoindole-1,3-dione
Names & synonyms
SCHEMBL8617387CWIOIYMVAADHGW-UHFFFAOYSA-N3-(4-phthalimidobutylthio)pyridine
Database identifiers
- PubChem CID
- 19079103
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
6 records
Compound notes
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