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

C9H5BrOS2CAS 110046-60-1273.16 g/mol

Open in Covalent MOL file
SSBrO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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 5,5'-Dibromo-2,2'-bithiophene4805-22-560 % similar 5,5''-Dibromo-[2,2':5',2"]terthiohene98057-08-058 % similar [2,2'-Bithiophene]-5-carboxaldehyde3779-27-955 % similar Thiophene-2,5-dicarbaldehyde932-95-654 % similar 5-Phenyl-2-thiophenecarbaldehyde19163-21-453 % similar 2,2':5',2''-Terthiophene-5-carboxaldehyde7342-41-853 % similar 5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde38401-71-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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