Benzo[1,2-b:4,3-b']dithiophene
Basic information
- CAS
210-80-0- Standard SMILES
c1cc2c(ccc3sccc32)s1- InChIKey
CRUIOQJBPNKOJG-UHFFFAOYSA-N- Molecular formula
- C10H6S2
- Average molar mass
- 190.3 g/mol
- Monoisotopic mass
- 189.99109254
Names & identifiers
- Preferred name
- Benzo[1,2-b:4,3-b']dithiophene
- IUPAC
- thieno[3,2-e][1]benzothiole
- English name
- Benzo[1,2-b:4,3-b']dithiophene
- Molecular formula
- C10H6S2
- Molecular weight
- 190.28
Names & synonyms
Benzo[1,2-b:4,3-b']dithiophene210-80-0SCHEMBL2498909SCHEMBL29352476CRUIOQJBPNKOJG-UHFFFAOYSA-NDTXSID101371790Benzo[1,2--b:4,3--b']-dithiophenBenzo[1,2-b:4,3-ba(2)]dithiophene
Database identifiers
- CAS
210-80-0- PubChem CID
- 605461
- DTXSID
DTXSID101371790- Nikkaji
- J103.880J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 117 °C · 117 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 344.4 · 344.4±15.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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