chempirical

4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-B:4,5-B′]dithiophene

C26H38O2S2CAS 1160823-77-7446.71 g/mol

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OSOS
Ether

Properties

Molecular formula
C26H38O2S2
Molar mass
446.71 g/mol
Exact mass
446.2313 Da
logP
9.31Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
14

Identifiers

CAS number
1160823-77-7
SMILES
CCCCC(CC)COc1c2ccsc2c(OCC(CC)CCCC)c2ccsc12
InChIKey
HATOWNJGYIVNBU-UHFFFAOYSA-N
InChI
InChI=1S/C26H38O2S2/c1-5-9-11-19(7-3)17-27-23-21-13-15-30-26(21)24(22-14-16-29-25(22)23)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3

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Names and synonyms

3 names
  • Benzo[1,2-b:4,5-b′]dithiophene, 4,8-bis[(2-ethylhexyl)oxy]-
  • 4,8-Bis(2-ethylhexyloxy)benzo[1,2-b:4,5-b′]dithiophene
  • 4,8-Diethylhexyloxybenzo[1,2-b:3,4-b]dithiophene

Work with 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

2,6-Dibromo-4,8-bis[(2-ethylhexyl)oxy]-benzo[1,2-B:4,5-B']dithiophene1226782-13-359 % similar 3-(2-Ethylhexyl)thiophene121134-38-144 % similar Bis(2-ethylhexyl) terephthalate6422-86-243 % similar Diphenyl(2-ethylhexyl) phosphite15647-08-242 % similar Di-2-Ethylhexyl phenyl phosphite3164-60-142 % similar Silicic acid (H4sio4) tetrakis(2-ethylhexyl) ester115-82-241 % similar Bis(2-ethylhexyl) phthalate117-81-741 % similar 1,1′-[4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-B:4,5-B′]dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]1160823-78-841 % similar

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

Elsewhere

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