2,2'-(Disulphanediyldiethane-2,1-diyl)bis(6-chloro-1H-benzo[de]-isoquinoline-1,3(2H)-dione)
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Basic information
- CAS
950781-06-3- Standard SMILES
O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1CCSSCCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O- InChIKey
MFEKJUIPLACLHJ-UHFFFAOYSA-N- Molecular formula
- C28H18Cl2N2O4S2
- Average molar mass
- 581.5 g/mol
Names & identifiers
- Preferred name
- 2,2'-(Disulphanediyldiethane-2,1-diyl)bis(6-chloro-1H-benzo[de]-isoquinoline-1,3(2H)-dione)
- IUPAC
- 6-chloro-2-[2-[2-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyldisulfanyl]ethyl]benzo[de]isoquinoline-1,3-dione
- English name
- 2,2'-(Disulphanediyldiethane-2,1-diyl)bis(6-chloro-1H-benzo[de]-isoquinoline-1,3(2H)-dione)
- Molecular formula
- C28H18Cl2N2O4S2
- Molecular weight
- 581.49
Names & synonyms
SCHEMBL338647MFEKJUIPLACLHJ-UHFFFAOYSA-N2,2'-(disulfanediyldiethane-2,1-diyl)bis(6-chloro-1H-benzo[de]-isoquinoline-1,3(2H)-dione)2,2'-(Disulphanediyldiethane-2,1-diyl)bis(6-chloro-1H-benzo[de]-isoquinoline-1,3(2H)-dione)6-chloro-2-(2-{[2-(6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-disulphanyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-(dithiodi-2,1-ethanediyl)bis[6-chloro-
Database identifiers
- CAS
950781-06-3
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 909
Physicochemical properties
- Boiling point
- 794.9 · 794.9±60.0 °C(Predicted)
- Density
- 1.563 · 1.563±0.06 g/cm3(Predicted)
- pka
- -2.4 · -2.40±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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