5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(4-(2-(diethylamino)ethoxy)phenyl)-, monohydrochloride
Basic information
- CAS
54627-08-6- Standard SMILES
CC[NH+](CC)CCOc1ccc(N2C(=O)C3=C(SCCS3)C2=O)cc1.[Cl-]- InChIKey
BWPOXJQNBBOXKV-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O3S2
- Average molar mass
- 415 g/mol
- Monoisotopic mass
- 414.0838626
Names & identifiers
- Preferred name
- 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(4-(2-(diethylamino)ethoxy)phenyl)-, monohydrochloride
- IUPAC
- 2-[4-(5,7-dioxo-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-6-yl)phenoxy]ethyl-diethylazanium chloride
Names & synonyms
RA(sub 19)54627-08-65H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(4-(2-(diethylamino)ethoxy)phenyl)-, monohydrochloridep-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(4-(2-(diethylamino)ethoxy)phenyl)-, HClRefChem:305271
Database identifiers
- CAS
54627-08-6- PubChem CID
- 41141
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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