Basic information
- CAS
23062-34-2- Standard SMILES
c1scc2c1COCc1cscc1-2- InChIKey
LBKKXPSTOSLTSB-UHFFFAOYSA-N- Molecular formula
- C10H8OS2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.00165722
Names & identifiers
- Preferred name
- 4H,6H-Dithieno[3,4-c:3',4'-e]oxepin
- IUPAC
- 8-oxa-4,12-dithiatricyclo[8.3.0.02,6]trideca-1(13),2,5,10-tetraene
- English name
- 4H,6H-Dithieno(3,4-C:3',4'-E)oxepin
- Molecular formula
- C10H8OS2
- Molecular weight
- 208.3
Names & synonyms
23062-34-24H,6H-Dithieno[3,4-c:3',4'-e]oxepin4H,6H-Dithieno(3,4-c:3',4'-e)oxepinNSC241159DTXSID80177628NSC 241159NSC-241159DB-0835824H,6H-Bisthieno[3,4-c:3',4'-e]oxepine8-oxa-4,12-dithiatricyclo[8.3.0.02,6]trideca-1(13),2,5,10-tetraene5205-06-1
Database identifiers
- CAS
23062-34-2- PubChem CID
- 140993
- DTXSID
DTXSID80177628
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 111 °C · 111 °C
- Boiling point
- 393.2 · 393.2±27.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
SYNCHEM-OHG[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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