chempirical

5-Methyl-2-thiophenecarboxaldehyde

C6H6OSCAS 13679-70-4126.17 g/mol

Open in Covalent MOL file
OS
Aldehyde

Properties

Molecular formula
C6H6OS
Molar mass
126.17 g/mol
Exact mass
126.0139 Da
Melting point
184–186 °C
Boiling point
52.5 °C (at 0.7 Torr)
logP
1.87Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
13679-70-4
SMILES
Cc1ccc(C=O)s1
InChIKey
VAUMDUIUEPIGHM-UHFFFAOYSA-N
InChI
InChI=1S/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Thiophenecarboxaldehyde, 5-methyl-
  • 5-Methyl-2-formylthiophene
  • 2-Formyl-5-methylthiophene
  • 5-Methylthiophene-2-carbaldehyde
  • 2-Methylthiophene-5-carboxaldehyde
  • 2-Methyl-5-formylthiophene
  • 5-Methyl-2-thiophenealdehyde
  • 5-Methyl-2-thienaldehyde
  • NSC 87542
  • 5-Methyl-2-thienylcarbaldehyde
  • 5-Methylthiophen-2-carboxaldehyde

Work with 5-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

2,5-Thiophenedicarboxaldehyde932-95-664 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-850 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-150 % similar 2,5-Dimethylthiophene638-02-850 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-750 % similar 5-Formyl-2-thiopheneboronic acid4347-33-545 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-144 % similar 5-Nitro-2-thiophenecarboxaldehyde4521-33-942 % similar

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

Same formula

2-Mercaptophenol1121-24-0 3-Acetylthiophene1468-83-3 3-Methyl-2-thiophenecarboxaldehyde5834-16-2 4-Mercaptophenol637-89-8 2-Acetylthiophene88-15-3

Elsewhere

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