5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-
Basic information
- CAS
35809-78-0- Standard SMILES
O=C1C2=C(SCCS2)C(=O)N1Cc1ccccc1- InChIKey
CQEQDQJCWAFZPY-UHFFFAOYSA-N- Molecular formula
- C13H11NO2S2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.02312094
Names & identifiers
- Preferred name
- 5H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-6-(phenylmethyl)-
- IUPAC
- 6-benzyl-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Names & synonyms
RA(sub 13)BRN 108155835809-78-05H-1,4-DITHIINO(2,3-c)PYRROLE-5,7(6H)-DIONE, 2,3-DIHYDRO-6-(PHENYLMETHYL)-p-Dithiin-2,3-dicarboximide, 5,6-dihydro-N-(phenylmethyl)-DTXSID801893422,3-Dihydro-6-(phenylmethyl)-5H-1,4-dithiino(2,3-c)pyrrole-5,7(6H)-dioneRefChem:305273DTXCID10111833N-benzyl-3,6-dithiacyclohexene-1,2-dicarboximide6-Benzyl-2,3-dihydro-5H-[1,4]dithiino[2,3-c]pyrrole-5,7(6H)-dione
Database identifiers
- CAS
35809-78-0- PubChem CID
- 37266
- DTXSID
DTXSID80189342
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…