2,5-Dibromo-3,4-dimethylthieno[2,3-b]thiophene
Basic information
- CAS
845778-61-2- Standard SMILES
Cc1c(Br)sc2sc(Br)c(C)c12- InChIKey
CAKZHCORWHLXLQ-UHFFFAOYSA-N- Molecular formula
- C8H6Br2S2
- Average molar mass
- 326.1 g/mol
- Monoisotopic mass
- 323.82777
Names & identifiers
- Preferred name
- 2,5-Dibromo-3,4-dimethylthieno[2,3-b]thiophene
- IUPAC
- 2,5-dibromo-3,4-dimethylthieno[2,3-b]thiophene
- English name
- 2,5-dibromo-3,4-dimethyl-Thieno[2,3-b]thiophene
- Molecular formula
- C8H6Br2S2
- Molecular weight
- 326.07
Names & synonyms
2,5-dibromo-3,4-dimethylthieno[2,3-b]thiophene845778-61-2HMS1665A18SCHEMBL3564768DTXSID60384853CAKZHCORWHLXLQ-UHFFFAOYSA-NCCG-254064DA-024492,5-dibromo-3,4-dimethyl-Thieno[2,3-b]thiopheneThieno[2,3-b]thiophene, 2,5-dibromo-3,4-dimethyl-
Database identifiers
- CAS
845778-61-2- PubChem CID
- 2820162
- DTXSID
DTXSID60384853- Nikkaji
- J2.593.432F
Properties
Computed structural properties
- XLogP
- 5.7
- 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
- 170
Physicochemical properties
- Boiling point
- 382.7 · 382.7±37.0 °C(Predicted)
- Density
- 1.947 · 1.947±0.06 g/cm3(Predicted)
Related reactions
2 records
Compound notes
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