3-N-Octadecylthiophene

C₂₂H₄₀SCAS 104934-54-5336.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₄₀S
Molar mass: 336.62 g/mol
Exact mass: 336.2851 Da
logP: 8.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 17

Identifiers

CAS number

104934-54-5

SMILES

CCCCCCCCCCCCCCCCCCC1=CSC=C1

InChIKey

ARFJPHXJBIEWSZ-UHFFFAOYSA-N

InChI

InChI=1S/C22H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21H,2-18H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Octadecylthiophene

Work with 3-N-Octadecylthiophene

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

Poly(3-hexylthiophene)104934-50-1100 % similar 3-Dodecylthiophene104934-52-3100 % similar 3-Tetradecylthiophene110851-66-6100 % similar 3-Hexadecylthiophene119269-24-8100 % similar 3-Hexylthiophene1693-86-3100 % similar Decylbenzene104-72-357 % similar Hexylbenzene1077-16-357 % similar Heptylbenzene1078-71-357 % similar

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

Elsewhere

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