p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)-
Basic information
- CAS
34419-09-5- Standard SMILES
CCN(CC)CCN1C(=O)C2=C(SCCS2)C1=O- InChIKey
WBWKJUVLWCTQAW-UHFFFAOYSA-N- Molecular formula
- C12H18N2O2S2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.08097017
Names & identifiers
- Preferred name
- p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-(diethylamino)ethyl)-
- IUPAC
- 6-[2-(diethylamino)ethyl]-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Names & synonyms
34419-09-5p-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-N-(2-(DIETHYLAMINO)ETHYL)-5,6-Dihydro-N-(2-(diethylamino)ethyl)-p-dithiin-2,3-dicarboximideDTXSID501879965H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-(diethylamino)ethyl)-RefChem:367678DTXCID101104876-[2-(Diethylamino)ethyl]-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione
Database identifiers
- CAS
34419-09-5- PubChem CID
- 36826
- DTXSID
DTXSID50187996
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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