3-(2-Ethylhexyl)thiophene

C₁₂H₂₀SCAS 121134-38-1196.35 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

Identifiers

CAS number

121134-38-1

SMILES

CCCCC(CC)CC1=CSC=C1

InChIKey

HWMQCIZYXLAJKM-UHFFFAOYSA-N

InChI

InChI=1S/C12H20S/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h7-8,10-11H,3-6,9H2,1-2H3

Weigh it out

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

Work with 3-(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

3-Dodecylthiophene104934-52-353 % similar 3-N-Octadecylthiophene104934-54-553 % similar 3-Tetradecylthiophene110851-66-653 % similar 3-Hexadecylthiophene119269-24-853 % similar 3-Hexylthiophene1693-86-353 % similar 4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-B:4,5-B′]dithiophene1160823-77-744 % similar 3-Ethylthiophene1795-01-344 % similar 3-(Chloromethyl)heptane123-04-642 % similar

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

Same formula

2-Octylthiophene880-36-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook