Basic information
- CAS
5464-48-2- Standard SMILES
CCOC(=O)C(CCSC)N1C(=O)c2ccccc2C1=O- InChIKey
NNQWPASILSKVAT-UHFFFAOYSA-N- Molecular formula
- C15H17NO4S
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.0878292
Names & identifiers
- Preferred name
- Ethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoate
- IUPAC
- ethyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
Names & synonyms
5464-48-2Ethyl 2-(1,3-dioxoisoindolin-2-yl)-4-(methylthio)butanoateethyl 2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-4-(methylsulfanyl)butanoateNSC15858DTXSID10280199NSC-15858
Database identifiers
- CAS
5464-48-2- PubChem CID
- 225950
- DTXSID
DTXSID10280199
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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