4-(2-Ethylhexyl)-4H-dithieno[3,2-B:2',3'-D]pyrrole

C₁₆H₂₁NS₂CAS 868173-44-8291.47 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₁NS₂
Molar mass: 291.47 g/mol
Exact mass: 291.1115 Da
logP: 6.13Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

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

868173-44-8

SMILES

CCCCC(CC)CN1C2=C(C3=C1C=CS3)SC=C2

InChIKey

AHYHFQFKENFADZ-UHFFFAOYSA-N

InChI

InChI=1S/C16H21NS2/c1-3-5-6-12(4-2)11-17-13-7-9-18-15(13)16-14(17)8-10-19-16/h7-10,12H,3-6,11H2,1-2H3

Weigh it out

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Work with 4-(2-Ethylhexyl)-4H-dithieno[3,2-B:2',3'-D]pyrrole

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′]dithiophene1160823-77-753 % similar 4,4-Di(2-ethylhexyl)-4H-cyclopenta[2,1-B:3,4-B]dithiophene365547-20-248 % similar 2-(2-Ethylhexyl)thiophene4891-44-548 % similar 3-(2-Ethylhexyl)thiophene121134-38-145 % similar 2-Ethylhexylamine104-75-641 % similar Y6-12304444-52-640 % similar Di(2-ethylhexyl)ether10143-60-939 % similar 2-Ethylhexanol104-76-738 % similar

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

Same formula

4-Octyl-4H-dithieno[3,2-B:2',3'-D]pyrrole141029-75-6

Elsewhere

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