2-Butyl-5-ethylthiophene

C₁₀H₁₆SCAS 54411-06-2168.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆S
Molar mass: 168.30 g/mol
Exact mass: 168.0973 Da
logP: 3.65Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

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

54411-06-2

SMILES

CCCCc1ccc(CC)s1

InChIKey

ORAPMLHUSQJCQH-UHFFFAOYSA-N

InChI

InChI=1S/C10H16S/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

Thiophene, 2-butyl-5-ethyl-

Work with 2-Butyl-5-ethylthiophene

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-Bromo-5-hexylthiophene211737-28-952 % similar 2-Butylthiophene1455-20-548 % similar n-Butylbenzene104-51-843 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-842 % similar 2-Pentylthiophene4861-58-942 % similar 2-Octylthiophene880-36-441 % similar 4,4'-Bis(5-hexylthiophen-2-yl)-2,2'-bipyridine1047684-56-940 % similar 5-Ethyl-thiophene-2-carboxylic acid23229-72-340 % similar

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

Same formula

Poly(3-hexylthiophene)104934-50-1 3-Hexylthiophene1693-86-3 2-Hexylthiophene18794-77-9 1-Adamantylthiol34301-54-7

Elsewhere

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