chempirical

4-Bromo-2-thiophenecarboxaldehyde

C5H3BrOSCAS 18791-75-8191.04 g/mol

Open in Covalent MOL file
OBrS
AldehydeAryl halide

Properties

Molecular formula
C5H3BrOS
Molar mass
191.04 g/mol
Exact mass
189.9088 Da
Melting point
44–45 °C
Boiling point
114–115 °C (at 11 Torr)
logP
2.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
18791-75-8
SMILES
O=Cc1cc(Br)cs1
InChIKey
PDONIKHDXYHTLS-UHFFFAOYSA-N
InChI
InChI=1S/C5H3BrOS/c6-4-1-5(2-7)8-3-4/h1-3H

Weigh it out

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

Names and synonyms

7 names
  • 2-Thiophenecarboxaldehyde, 4-bromo-
  • 4-Bromo-2-formylthiophene
  • 3-Bromo-5-formylthiophene
  • 3-Bromo-5-thiophenecarboxaldehyde
  • 4-Bromothiophen-2-aldehyde
  • 4-Bromothiophen-2-carboxaldehyde
  • 4-Bromothiophene-2-carbaldehyde

Work with 4-Bromo-2-thiophenecarboxaldehyde

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-Bromoisophthalaldehyde120173-41-344 % similar 3,5-Dibromobenzaldehyde56990-02-444 % similar Methyl 5-formylthiophene-3-carboxylate67808-66-643 % similar 4-Bromo-2-thiophenecarboxylic acid16694-18-139 % similar 4-Bromobenzaldehyde1122-91-439 % similar 4-Bromo-2-cyanothiophene18791-99-639 % similar 3-Bromobenzaldehyde3132-99-839 % similar 4-Bromo-2,6-difluorobenzaldehyde537013-51-739 % similar

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

Same formula

5-Bromo-2-thiophenecarboxaldehyde4701-17-1

Elsewhere

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