Basic information
- CAS
53787-88-5- Standard SMILES
O=C1C2=C(SCCS2)C(=O)N1c1ccccn1- InChIKey
CEULEJFLPBCFAU-UHFFFAOYSA-N- Molecular formula
- C11H8N2O2S2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.00271985
Names & identifiers
- Preferred name
- 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(2-pyridinyl)-
- IUPAC
- 6-pyridin-2-yl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Names & synonyms
RA(sub 14)BRN 099383353787-88-55H-1,4-DITHIINO(2,3-c)PYRROLE-5,7(6H)-DIONE, 2,3-DIHYDRO-6-(2-PYRIDINYL)-p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(2-pyridinyl)-DTXSID202020692,3-Dihydro-6-(2-pyridinyl)-5H-1,4-dithiino(2,3-c)pyrrole-5,7(6H)-dioneRefChem:305269DTXCID70124560SCHEMBL118423256-(pyridin-2-yl)-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione
Database identifiers
- CAS
53787-88-5- PubChem CID
- 40900
- DTXSID
DTXSID20202069
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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