Basic information
- CAS
1093728-44-9- Standard SMILES
Brc1cc(-c2cccs2)cc(-c2cccs2)c1- InChIKey
PIGTVIKDGDJPPH-UHFFFAOYSA-N- Molecular formula
- C14H9BrS2
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 319.93291
Names & identifiers
- Preferred name
- 2,2'-(5-Bromo-1,3-phenylene)dithiophene
- IUPAC
- 2-(3-bromo-5-thiophen-2-ylphenyl)thiophene
Names & synonyms
SCHEMBL1334676DTXSID7012680821093728-44-92,2'-(5-Bromo-1,3-phenylene)dithiophene2,2a(2)-(5-Bromo-1,3-phenylene)bis[thiophene]
Database identifiers
- CAS
1093728-44-9- PubChem CID
- 25194574
- DTXSID
DTXSID701268082
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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