2-(4-Chlorophenylthio)benzaldehyde

C₁₃H₉ClOSCAS 107572-07-6248.72 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Sulfide

Properties

Molecular formula: C₁₃H₉ClOS
Molar mass: 248.72 g/mol
Exact mass: 248.0063 Da
logP: 4.30Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

107572-07-6

SMILES

C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl

InChIKey

CQKLAEUCMKGSEQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H

Weigh it out

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

Work with 2-(4-Chlorophenylthio)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

2-[(4-Chlorophenyl)thio]-3-thiophenecarboxaldehyde306935-23-954 % similar 2-[(4-Chlorophenyl)thio]benzenamine37750-29-153 % similar 1-[(4-Chlorophenyl)thio]-2-nitrobenzene6764-10-949 % similar 2-Chlorobenzaldehyde89-98-544 % similar Phthalaldehyde643-79-843 % similar 4-Chlorobenzaldehyde104-88-142 % similar 4-(Phenylthio)benzaldehyde1208-88-442 % similar 2,5-Dichlorobenzaldehyde6361-23-541 % similar

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

Elsewhere

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