Basic information
- CAS
596810-90-1- Standard SMILES
O=C1COC(=O)C1SN1C(=O)c2ccccc2C1=O- InChIKey
VIMRUYXFCLDRFO-UHFFFAOYSA-N- Molecular formula
- C12H7NO5S
- Average molar mass
- 277.25 g/mol
- Monoisotopic mass
- 277.0044935
Names & identifiers
- Preferred name
- 2-[(2,4-Dioxooxolan-3-yl)sulfanyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(2,4-dioxooxolan-3-yl)sulfanylisoindole-1,3-dione
Names & synonyms
596810-90-12-[(2,4-Dioxooxolan-3-yl)sulfanyl]-1H-isoindole-1,3(2H)-dioneDTXSID80787069
Database identifiers
- CAS
596810-90-1- PubChem CID
- 71363552
- DTXSID
DTXSID80787069- Nikkaji
- J1.912.304I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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