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

C26H38O2S2CAS 1160823-77-7446.71 g/mol

Open in Covalent MOL file
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

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

Weigh it out

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

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 1,1′-[4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]1160823-78-856 % similar 4-(2-Ethylhexyl)-4H-dithieno[3,2-B:2',3'-D]pyrrole868173-44-853 % similar 4,4-Di(2-ethylhexyl)-4H-cyclopenta[2,1-B:3,4-B]dithiophene365547-20-250 % similar 2-(2-Ethylhexyl)thiophene4891-44-547 % similar Di(2-ethylhexyl)ether10143-60-946 % similar 3-(2-Ethylhexyl)thiophene121134-38-144 % similar 2-Ethylhexylamine104-75-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook