chempirical

2,5-Thiophenedicarboxaldehyde

C6H4O2SCAS 932-95-6140.16 g/mol

Open in Covalent MOL file
OOS
Aldehyde

Properties

Molecular formula
C6H4O2S
Molar mass
140.16 g/mol
Exact mass
139.9932 Da
Melting point
114–114.5 °C
logP
1.37Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
932-95-6
SMILES
O=Cc1ccc(C=O)s1
InChIKey
OTMRXENQDSQACG-UHFFFAOYSA-N
InChI
InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H

Weigh it out

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

Names and synonyms

5 names
  • 2,5-Diformylthiophene
  • 2,5-Thiophenedicarbaldehyde
  • 2,5-Thiophenedial
  • Thiophene-2,5-dialdehyde
  • 2,5-Thienodicarboxaldehyde

Work with 2,5-Thiophenedicarboxaldehyde

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-Methyl-2-thiophenecarboxaldehyde13679-70-464 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-164 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-764 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-856 % similar 5-Formyl-2-thiopheneboronic acid4347-33-556 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-154 % similar 5-Nitro-2-thiophenecarboxaldehyde4521-33-952 % similar 5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde38401-71-750 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook