Basic information
- CAS
720673-43-8- Standard SMILES
O=C1c2ccccc2C(=O)N1CC=C1c2ccccc2CSc2ccccc21- InChIKey
RSHIDBWJQGOIGE-UHFFFAOYSA-N- Molecular formula
- C24H17NO2S
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.09799996
Names & identifiers
- Preferred name
- 2-[2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethyl]isoindole-1,3-dione
- IUPAC
- 2-[2-(6H-benzo[c][1]benzothiepin-11-ylidene)ethyl]isoindole-1,3-dione
- English name
- 2-(2-dibenzo[b,e]thiepin-11(6H)-ylideneethyl)-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C24H17NO2S
- Molecular weight
- 383.46
Names & synonyms
2-(2-dibenzo[b,e]thiepin-11(6H)-ylideneethyl)-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
720673-43-8- PubChem CID
- 1044026
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 635
Physicochemical properties
- Boiling point
- 579.927 · 579.927±49.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.272 · -2.272±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…