2,2':5',2''-Terthiophene-5-carboxaldehyde

C₁₃H₈OS₃CAS 7342-41-8276.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₈OS₃
Molar mass: 276.39 g/mol
Exact mass: 275.9737 Da
logP: 5.02Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

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

7342-41-8

SMILES

C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C=O

InChIKey

PMPDDPJYARBNGV-UHFFFAOYSA-N

InChI

InChI=1S/C13H8OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-8H

Weigh it out

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

Work with 2,2':5',2''-Terthiophene-5-carboxaldehyde

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

[2,2'-Bithiophene]-5-carboxaldehyde3779-27-996 % similar Terthiophene1081-34-163 % similar Alpha-quinquethiophene5660-45-763 % similar Alpha-sexithiophene88493-55-463 % similar 5-Phenyl-2-thiophenecarbaldehyde19163-21-455 % similar Thiophene-2-carboxaldehyde98-03-353 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-153 % similar 2,5-Thiophenedicarboxaldehyde932-95-650 % similar

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

Elsewhere

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