Dibenzo[B,D]thiophene-4-carbaldehyde

C₁₃H₈OSCAS 23985-81-1212.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₈OS
Molar mass: 212.27 g/mol
Exact mass: 212.0296 Da
logP: 3.87Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

23985-81-1

SMILES

C1=CC=C2C(=C1)C3=CC=CC(=C3S2)C=O

InChIKey

XESZAOMRYLSHOM-UHFFFAOYSA-N

InChI

InChI=1S/C13H8OS/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-8H

Weigh it out

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

Work with Dibenzo[B,D]thiophene-4-carbaldehyde

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-Bromodibenzothiophene97511-05-253 % similar 4-Iododibenzothiophene132034-89-050 % similar Benzo[b]thiophene-3-carboxaldehyde5381-20-450 % similar 1-Naphthalenecarboxaldehyde66-77-350 % similar Dibenzothiophene132-65-046 % similar Phthalaldehyde643-79-846 % similar 4-Dibenzothiopheneboronic acid108847-20-746 % similar 3-Methylbenzo(b)thiophene-2-carboxaldehyde22053-74-346 % similar

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

Same formula

Thioxanthone492-22-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook