2-(4-(Methylthio)benzyl)isoindoline-1,3-dione
Basic information
- Standard SMILES
CSc1ccc(CN2C(=O)c3ccccc3C2=O)cc1- InChIKey
MGYRYHWNSVKNGJ-UHFFFAOYSA-N- Molecular formula
- C16H13NO2S
- Average molar mass
- 283.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-(Methylthio)benzyl)isoindoline-1,3-dione
- IUPAC
- 2-[(4-methylsulfanylphenyl)methyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL4889578SCHEMBL30994745MGYRYHWNSVKNGJ-UHFFFAOYSA-NAKOS0008504612-(4-(methylthio)benzyl)isoindoline-1,3-dioneZ18272062
Database identifiers
- PubChem CID
- 7960065
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
3 records
Compound notes
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