2,5-Dibromo-3,4-ethylenedioxythiophene

C₆H₄Br₂O₂SCAS 174508-31-7299.96 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₆H₄Br₂O₂S
Molar mass: 299.96 g/mol
Exact mass: 297.8299 Da
logP: 3.04Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

174508-31-7

SMILES

C1COC2=C(SC(=C2O1)Br)Br

InChIKey

FHMRWRBNAIDRAP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Br2O2S/c7-5-3-4(6(8)11-5)10-2-1-9-3/h1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

5,7-Dibromo-2,3-dihydrothieno[3,4-B][1,4]dioxine

Work with 2,5-Dibromo-3,4-ethylenedioxythiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Bromo-2,3-dihydrothieno[3,4-B][1,4]dioxine-5-carboxaldehyde 97852054-42-359 % similar Tetrabromothiophene3958-03-038 % similar 1,2-Bis(2,4,6-tribromophenoxy)ethane37853-59-137 % similar 3,4-Ethylenedioxythiophene126213-50-133 % similar 2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carbaldehyde204905-77-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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