6-(2-Ethylhexyl)-5H-thieno[3,4-f]isoindole-5,7(6H)-dione
Basic information
- CAS
335594-58-6- Standard SMILES
CCCCC(CC)CN1C(=O)c2cc3cscc3cc2C1=O- InChIKey
FRJMWUCICRIVPW-UHFFFAOYSA-N- Molecular formula
- C18H21NO2S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.12930009
Names & identifiers
- Preferred name
- 6-(2-Ethylhexyl)-5H-thieno[3,4-f]isoindole-5,7(6H)-dione
- IUPAC
- 6-(2-ethylhexyl)thieno[3,4-f]isoindole-5,7-dione
Names & synonyms
335594-58-66-(2-Ethylhexyl)-5H-thieno[3,4-f]isoindole-5,7(6H)-dioneDTXSID30855500
Database identifiers
- CAS
335594-58-6- PubChem CID
- 71447166
- DTXSID
DTXSID30855500- Nikkaji
- J1.498.461E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
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Compound notes
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