chempirical

5-Chloro-2-thiophenecarboxaldehyde

C5H3ClOSCAS 7283-96-7146.59 g/mol

Open in Covalent MOL file
OClS
AldehydeAryl halide

Properties

Molecular formula
C5H3ClOS
Molar mass
146.59 g/mol
Exact mass
145.9593 Da
Boiling point
63–64 °C (at 0.7 Torr)
logP
2.21Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
7283-96-7
SMILES
O=Cc1ccc(Cl)s1
InChIKey
VWYFITBWBRVBSW-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClOS/c6-5-2-1-4(3-7)8-5/h1-3H

Weigh it out

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

Names and synonyms

5 names
  • 2-Thiophenecarboxaldehyde, 5-chloro-
  • 5-Chloro-2-formylthiophene
  • 2-Chloro-5-formylthiophene
  • 2-Chloro-5-thiophenecarboxaldehyde
  • 5-Chlorothiophene-2-aldehyde

Work with 5-Chloro-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

2,5-Thiophenedicarboxaldehyde932-95-664 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-450 % similar 2,5-Dichlorothiophene3172-52-950 % similar 5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde38401-71-750 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-150 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-845 % similar 5-Formyl-2-thiopheneboronic acid4347-33-545 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-144 % similar

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

Same formula

3-Thiophenecarbonyl chloride41507-35-1 2-Thiophenecarbonyl chloride5271-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook