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
OSSBrOBr
Aryl halideEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

1,1′-[4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]1160823-78-866 % similar 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 Di(2-ethylhexyl)ether10143-60-943 % similar 2-Ethylhexylamine104-75-640 % similar Tetra-(2-ethylhexoxy)silane115-82-239 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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