Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCCCC1CCSS1- InChIKey
FQDPGLGZNJLOAA-UHFFFAOYSA-N- Molecular formula
- C16H19NO2S2
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.0857212
Names & identifiers
- Preferred name
- 2-[5-(1,2-Dithiolan-3-yl)pentyl]isoindole-1,3-dione
- IUPAC
- 2-[5-(dithiolan-3-yl)pentyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL7831997FQDPGLGZNJLOAA-UHFFFAOYSA-N2-[5(1,2-dithiolan-3-yl)pentyl]isoindole-1,3-dione2-[5-(1,2-Dithiolan-3-yl)pentyl]isoindole-1,3-dione2-[5-(1,2-dithiolan-3-yl)pentyl]isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 18357997
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
13 records
Compound notes
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