2-(2-Ethylhexyl)thiophene

C₁₂H₂₀SCAS 4891-44-5196.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₀S
Molar mass: 196.35 g/mol
Exact mass: 196.1286 Da
logP: 4.51Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
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

4891-44-5

SMILES

CCCCC(CC)CC1=CC=CS1

InChIKey

JACCFQMSOHCQFN-UHFFFAOYSA-N

InChI

InChI=1S/C12H20S/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h6,8-9,11H,3-5,7,10H2,1-2H3

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Work with 2-(2-Ethylhexyl)thiophene

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-Butylthiophene1455-20-559 % similar 2-Pentylthiophene4861-58-957 % similar 2-Hexylthiophene18794-77-956 % similar 2-Propylthiophene1551-27-553 % similar 4,4-Di(2-ethylhexyl)-4H-cyclopenta[2,1-B:3,4-B]dithiophene365547-20-248 % similar 4-(2-Ethylhexyl)-4H-dithieno[3,2-B:2',3'-D]pyrrole868173-44-848 % similar 4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene1160823-77-747 % similar Di(2-ethylhexyl)ether10143-60-943 % similar

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

Same formula

3-(2-Ethylhexyl)thiophene121134-38-1 3-Octylthiophene65016-62-8 2-Octylthiophene880-36-4

Elsewhere

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