Thiophene-2-carboxaldehyde

C5H4OSCAS 98-03-3112.15 g/mol

Open in Covalent MOL file
OS
Aldehyde

Properties

Molecular formula
C5H4OS
Molar mass
112.15 g/mol
Exact mass
111.9983 Da
Density
1.28 g/mL (at 244 °C)
Melting point
150–151 °C
Boiling point
197 °C
logP
1.56Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 152 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
98-03-3
SMILES
O=Cc1cccs1
InChIKey
CNUDBTRUORMMPA-UHFFFAOYSA-N
InChI
InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H

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Names and synonyms

18 names · show all
  • 2-Thiophenecarboxaldehyde
  • α-Thiophenecarboxaldehyde
  • 2-Formylthiophene
  • 2-Thiophenealdehyde
  • α-Formylthiophene
  • 2-Thienylcarboxaldehyde
  • 2-Thienylaldehyde
  • Thiophene-2-carbaldehyde
  • 2-Thienaldehyde
  • 2-Formylthiofuran
  • α-Thiophenaldehyde
  • NSC 2162
  • 2-Thiofurancarboxaldehyde
  • Thiophene-o-carboxaldehyde
  • Thiofurfural
  • 2-Thienylcarbaldehyde
  • 2-Thiophenaldehyde
  • Thiophen-2-carbaldehyde

Reactions

Work with Thiophene-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[2,2'-Bithiophene]-5-carboxaldehyde3779-27-955 % similar 2,2':5',2''-Terthiophene-5-carboxaldehyde7342-41-853 % similar 2-Vinylthiophene1918-82-752 % similar Thiophene-2,5-dicarbaldehyde932-95-648 % similar Thiophene-2-aldoxime29683-84-946 % similar 2-Thiophen-2-yl-benzaldehyde99902-07-545 % similar 3-(2-Thienyl)-2-propenoic acid1124-65-844 % similar 3-(2-Thienyl)acrylic acid15690-25-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Thiophenecarboxaldehyde498-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia