2,6-Dibromo-4,8-bis[(2-ethylhexyl)oxy]-benzo[1,2-B:4,5-B']dithiophene

C₂₆H₃₆Br₂O₂S₂CAS 1226782-13-3604.50 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₂₆H₃₆Br₂O₂S₂
Molar mass: 604.50 g/mol
Exact mass: 602.0523 Da
logP: 10.83Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 14

Identifiers

CAS number

1226782-13-3

SMILES

CCCCC(CC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)Br)OCC(CC)CCCC)Br

InChIKey

HMHJSVWOWIHEIP-UHFFFAOYSA-N

InChI

InChI=1S/C26H36Br2O2S2/c1-5-9-11-17(7-3)15-29-23-19-13-21(27)32-26(19)24(20-14-22(28)31-25(20)23)30-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3

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Work with 2,6-Dibromo-4,8-bis[(2-ethylhexyl)oxy]-benzo[1,2-B:4,5-B']dithiophene

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

4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-B:4,5-B′]dithiophene1160823-77-759 % similar 2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-silolo[3,2-B:4,5-B']dithiophene1089687-05-753 % similar 2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-B:3,4-B′]dithiophene365547-21-353 % similar 3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-C]pyrrole-1,4-dione1000623-95-938 % similar 2-Ethylhexyl peroxydicarbonate16111-62-938 % similar Bis(2-ethylhexyl) terephthalate6422-86-237 % similar 2-Ethylhexyl bromide18908-66-237 % similar 2-Ethylhexyl glycidyl ether2461-15-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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