5'-Bromo(2,2'-bithiophene)-5-carbaldehyde

C₉H₅BrOS₂CAS 110046-60-1273.16 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₉H₅BrOS₂
Molar mass: 273.16 g/mol
Exact mass: 271.8965 Da
logP: 4.05Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

110046-60-1

SMILES

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

InChIKey

NTHMTYNJFSUBMF-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrOS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-5H

Weigh it out

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

Names and synonyms

1 names

5-Bromo-2,2'-bithiophene-5'-carboxaldehyde

Work with 5'-Bromo(2,2'-bithiophene)-5-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

5-Bromo-2-thiophenecarboxaldehyde4701-17-177 % similar 2,5-Thiophenedicarboxaldehyde932-95-654 % similar 5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde38401-71-749 % similar 5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-846 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-844 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-444 % similar 2-Bromo-5-phenylthiophene29488-24-244 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-744 % similar

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

Elsewhere

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