4-(Thiophen-3-yl)benzaldehyde

C₁₁H₈OSCAS 157730-74-0188.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈OS
Molar mass: 188.24 g/mol
Exact mass: 188.0296 Da
logP: 3.23Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

157730-74-0

SMILES

C1=CC(=CC=C1C=O)C2=CSC=C2

InChIKey

MGPZYZLJJSEFLU-UHFFFAOYSA-N

InChI

InChI=1S/C11H8OS/c12-7-9-1-3-10(4-2-9)11-5-6-13-8-11/h1-8H

Weigh it out

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Names and synonyms

1 names

4-(3-Thienyl)benzaldehyde

Work with 4-(Thiophen-3-yl)benzaldehyde

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

[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-863 % similar 3-Thiophenecarboxaldehyde498-62-459 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-256 % similar 3,3'-Bithiophene3172-56-354 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-854 % similar 4',4''',4''''',4'''''''-(Ethene-1,1,2,2-tetrayl)tetrakis(([1,1'-biphenyl]-4-carbaldehyde))1624970-54-250 % similar 3-Phenylthiophene2404-87-750 % similar 4'-Methylbiphenyl-4-carbaldehyde36393-42-750 % similar

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

Same formula

2-Benzoylthiophene135-00-2 5-Phenyl-2-thiophenecarbaldehyde19163-21-4

Elsewhere

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