3-Thiophenecarboxaldehyde

C5H4OSCAS 498-62-4112.15 g/mol

Open in Covalent MOL file
OS
Aldehyde

Properties

Molecular formula
C5H4OS
Molar mass
112.15 g/mol
Exact mass
111.9983 Da
Boiling point
86.7 °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 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
498-62-4
SMILES
O=Cc1ccsc1
InChIKey
RBIGKSZIQCTIJF-UHFFFAOYSA-N
InChI
InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H

Weigh it out

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Names and synonyms

8 names
  • 3-Formylthiophene
  • 3-Thiophenecarbaldehyde
  • 3-Thiophenealdehyde
  • 3-Thienylcarboxaldehyde
  • 3-Thienaldehyde
  • Thiophen-3-aldehyde
  • NSC 172858
  • Thiofuran-3-carboxaldehyde

Reactions

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Thiophen-3-yl)benzaldehyde157730-74-059 % similar 1,4-Benzenedicarboxaldehyde623-27-848 % similar 3-(3-Thienyl)acrylic acid1195-52-444 % similar Benzaldehyde100-52-742 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-842 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-641 % similar Isophthalaldehyde626-19-740 % similar 2-(3-Thienyl)-3-pyridinecarboxaldehyde885950-13-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiophene-2-carboxaldehyde98-03-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook