3-Bromothiophene-2-carboxaldehyde

C₅H₃BrOSCAS 930-96-1191.04 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₃BrOS
Molar mass: 191.04 g/mol
Exact mass: 189.9088 Da
logP: 2.32Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

930-96-1

SMILES

C1=CSC(=C1Br)C=O

InChIKey

BCZHCWCOQDRYGS-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H

Weigh it out

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

Names and synonyms

1 names

3-Bromothiophene-2-carbaldehyde

Work with 3-Bromothiophene-2-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

Thiophene-2,3-dicarbaldehyde932-41-256 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-252 % similar 3-Chlorothiophene-2-carbaldehyde67482-48-852 % similar 3-Methoxythiophene-2-carbaldehyde35134-07-747 % similar 2-Formyl-3-thiopheneboronic acid4347-31-347 % similar 3,3'-Dibromo-2,2'-bithiophene51751-44-146 % similar 2,3-Dibromothiophene3140-93-044 % similar 2,6-Dibromobenzaldehyde67713-23-943 % similar

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

Same formula

4-Bromo-2-thiophenecarboxaldehyde18791-75-8 5-Bromo-2-thiophenecarboxaldehyde4701-17-1

Elsewhere

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