4′-(Methylthio)[1,1′-biphenyl]-4-carboxaldehyde

C₁₄H₁₂OSCAS 221018-02-6228.31 g/mol

Open in Covalent MOL file

Aldehyde Sulfide

Properties

Molecular formula: C₁₄H₁₂OS
Molar mass: 228.31 g/mol
Exact mass: 228.0609 Da
logP: 3.89Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

221018-02-6

SMILES

CSc1ccc(-c2ccc(C=O)cc2)cc1

InChIKey

AIQQOUGEPPIVBV-UHFFFAOYSA-N

InChI

InChI=1S/C14H12OS/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-10H,1H3

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

Names and synonyms

2 names

[1,1′-Biphenyl]-4-carboxaldehyde, 4′-(methylthio)-
4-(4-Methyl-2-thienyl)benzaldehyde

Work with 4′-(Methylthio)[1,1′-biphenyl]-4-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

4-(Methylthio)benzaldehyde3446-89-788 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-863 % similar 1,3,5-Tris(4-formylphenyl)benzene118688-53-256 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-854 % similar 1,4-Benzenedicarboxaldehyde623-27-850 % similar 4-(Phenylthio)benzaldehyde1208-88-448 % similar 4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tris[benzaldehyde]443922-06-347 % similar 3′,5′-Dichloro[1,1′-biphenyl]-4-carboxaldehyde221018-04-845 % similar

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

Same formula

1-[4-(Phenylthio)phenyl]ethanone10169-55-8 1-(4-Methylphenyl)-3-(2-thienyl)-2-propen-1-one6028-89-3

Elsewhere

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