Basic information
- Standard SMILES
COc1cc(I)c2c(c1OS(=O)(=O)c1ccsc1)CNC2=O- InChIKey
HVMLFUXKXMXYNZ-UHFFFAOYSA-N- Molecular formula
- C13H10INO5S2
- Average molar mass
- 451.3 g/mol
Names & identifiers
- Preferred name
- 4-(3-Thiophenesulfonyloxy)-5-methoxy-7-iodoisoindolinone
- IUPAC
- (7-iodo-5-methoxy-1-oxo-2,3-dihydroisoindol-4-yl) thiophene-3-sulfonate
Names & synonyms
SCHEMBL3046462HVMLFUXKXMXYNZ-UHFFFAOYSA-N4-(3-thiophenesulfonyloxy)-5-methoxy-7-iodoisoindolinone
Database identifiers
- PubChem CID
- 86628313
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 537
Related reactions
1 records
Compound notes
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