3-Methyl-2-thiophenecarboxaldehyde

C6H6OSCAS 5834-16-2126.17 g/mol

Open in Covalent MOL file
SO
Aldehyde

Properties

Molecular formula
C6H6OS
Molar mass
126.17 g/mol
Exact mass
126.0139 Da
Melting point
260–262 °C
Boiling point
65 °C (at 2.2 Torr)
logP
1.87Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5834-16-2
SMILES
Cc1ccsc1C=O
InChIKey
BSQKBHXYEKVKMN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6OS/c1-5-2-3-8-6(5)4-7/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Thiophenecarboxaldehyde, 3-methyl-
  • 3-Methylthiophene-2-aldehyde
  • 2-Formyl-3-methylthiophene
  • 3-Methyl-2-formylthiophene
  • 3-Methylthiophene-2-carbaldehyde

Work with 3-Methyl-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

Thiophene-2,3-dicarbaldehyde932-41-256 % similar 3-Chlorothiophene-2-carbaldehyde67482-48-852 % similar 3-Bromothiophene-2-carboxaldehyde930-96-152 % similar 3-Methoxythiophene-2-carbaldehyde35134-07-752 % similar 2-Formyl-3-thiopheneboronic acid4347-31-347 % similar 2,3-Dimethylthiophene632-16-644 % similar 4-Methylthiazole-5-carboxaldehyde82294-70-042 % similar 2,6-Dimethylbenzaldehyde1123-56-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Mercaptophenol1121-24-0 5-Methyl-2-thiophenecarboxaldehyde13679-70-4 3-Acetylthiophene1468-83-3 3-Hydroxybenzenethiol40248-84-8 4-Mercaptophenol637-89-8 2-Acetylthiophene88-15-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook