5-Phenyl-2-thiophenecarbaldehyde

C₁₁H₈OSCAS 19163-21-4188.24 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

19163-21-4

SMILES

C1=CC=C(C=C1)C2=CC=C(S2)C=O

InChIKey

APWHJDHTLFVWSQ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

5-Phenylthiophene-2-carbaldehyde

Work with 5-Phenyl-2-thiophenecarbaldehyde

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

5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde38401-71-765 % similar 5-(4-Methoxyphenyl)thiophene-2-carbaldehyde38401-67-159 % similar [2,2'-Bithiophene]-5-carboxaldehyde3779-27-956 % similar 2,5-Thiophenedicarboxaldehyde932-95-656 % similar 5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-856 % similar 2,2':5',2''-Terthiophene-5-carboxaldehyde7342-41-855 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-153 % similar 5-Formylthiophene-2-carbonitrile21512-16-345 % similar

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

Same formula

2-Benzoylthiophene135-00-2 4-(Thiophen-3-yl)benzaldehyde157730-74-0

Elsewhere

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