5H-1,3-Dithiolo[4,5-b][1,4]dithiepin-2,6(7H)-dione
Basic information
- CAS
129993-54-0- Standard SMILES
O=C1CSc2sc(=O)sc2SC1- InChIKey
CFBZZQWUZNLDKO-UHFFFAOYSA-N- Molecular formula
- C6H4O2S4
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 235.90941406
Names & identifiers
- Preferred name
- 5H-1,3-Dithiolo[4,5-b][1,4]dithiepin-2,6(7H)-dione
- IUPAC
- [1,3]dithiolo[4,5-b][1,4]dithiepine-2,6-dione
Names & synonyms
129993-54-02H,5H-[1,3]Dithiolo[4,5-b][1,4]dithiepine-2,6(7H)-dione5H-1,3-Dithiolo[4,5-b][1,4]dithiepin-2,6(7H)-dioneHMS642C22ChemDivAM_000852ChemDiv1_019426DTXSID10354304AKOS000676025ST51169810SR-01000399504SR-01000399504-15H,7H-[1,3]DITHIOLO[4,5-B][1,4]DITHIEPINE-2,6-DIONE
Database identifiers
- CAS
129993-54-0- PubChem CID
- 768245
- DTXSID
DTXSID10354304- Nikkaji
- J2.875.254G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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