7,7'-Dibromo-2,2',3,3'-tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
Basic information
- CAS
287924-56-5- Standard SMILES
Brc1sc(-c2sc(Br)c3c2OCCO3)c2c1OCCO2- InChIKey
WHJBQEONBIZKMX-UHFFFAOYSA-N- Molecular formula
- C12H8Br2O4S2
- Average molar mass
- 440.1 g/mol
- Monoisotopic mass
- 437.82308
Names & identifiers
- Preferred name
- 7,7'-Dibromo-2,2',3,3'-tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
- IUPAC
- 5-bromo-7-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
- English name
- 5-BROMO-7-(5-BROMO-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-7-YL)-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE
- Molecular formula
- C12H8Br2O4S2
- Molecular weight
- 440.13
Names & synonyms
287924-56-57,7'-dibromo-2,2',3,3'-tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine5-BROMO-7-(5-BROMO-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-7-YL)-2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE5,5'-Bithieno[3,4-b]-1,4-dioxin, 7,7'-dibromo-2,2',3,3'-tetrahydro-starbld0005833C12H8Br2O4S2SCHEMBL12652986DTXSID90610339H42488F7862055,5'-dibromo-2,2'-bis[(3,4-ethylenedioxy)thiophene]5,5'-Bithieno[3,4-b]-1,4-dioxin,7,7'-dibromo-2,2',3,3'-tetrahydro-
Database identifiers
- CAS
287924-56-5- PubChem CID
- 21049574
- DTXSID
DTXSID90610339- Nikkaji
- J1.624.116D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Boiling point
- 483.7 · 483.7±45.0 °C(Predicted)
- Density
- 1.965 · 1.965±0.06 g/cm3(Predicted)
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