chempirical

Alpha-quinquethiophene

C20H12S5CAS 5660-45-7412.62 g/mol

Open in Covalent MOL file
SSSSS

Properties

Molecular formula
C20H12S5
Molar mass
412.62 g/mol
Exact mass
411.9543 Da
logP
8.66Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 5
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
5660-45-7
SMILES
C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=CS5
InChIKey
YFBLUJZFRBFQMR-UHFFFAOYSA-N
InChI
InChI=1S/C20H12S5/c1-3-13(21-11-1)15-5-7-17(23-15)19-9-10-20(25-19)18-8-6-16(24-18)14-4-2-12-22-14/h1-12H

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Work with Alpha-quinquethiophene

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

Terthiophene1081-34-1100 % similar Alpha-sexithiophene88493-55-4100 % similar 2,2′-Bithiophene492-97-776 % similar 2,2':5',2''-Terthiophene-5-carboxaldehyde7342-41-863 % similar [2,2'-Bithiophene]-5-carboxaldehyde3779-27-959 % similar 2-Phenylthiophene825-55-852 % similar 2-(4-Fluorophenyl)thiophene58861-48-644 % similar 4-Thiophen-2-ylphenylamine70010-48-944 % similar

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

Elsewhere

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