chempirical

5-Ethyl-2-thiophenecarboxaldehyde

C7H8OSCAS 36880-33-8140.20 g/mol

Open in Covalent MOL file
OS
Aldehyde

Properties

Molecular formula
C7H8OS
Molar mass
140.20 g/mol
Exact mass
140.0296 Da
Density
1.117 g/mL (at 419 °C)
Boiling point
117–119 °C (at 18 Torr)
logP
2.12Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
36880-33-8
SMILES
CCc1ccc(C=O)s1
InChIKey
CLQXZICUPGZTPE-UHFFFAOYSA-N
InChI
InChI=1S/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3

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Names and synonyms

2 names
  • 2-Thiophenecarboxaldehyde, 5-ethyl-
  • 5-Ethylthiophene-2-carbaldehyde

Work with 5-Ethyl-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-Thiophenedicarboxaldehyde932-95-656 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-450 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-145 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-745 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-144 % similar 2-Butyl-5-ethylthiophene54411-06-242 % similar 5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde38401-71-742 % similar 5-Formyl-2-thiopheneboronic acid4347-33-541 % similar

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

Same formula

2-(Methylthio)phenol1073-29-6 4-(Methylthio)phenol1073-72-9 Methyl phenyl sulfoxide1193-82-4 2-Acetyl-3-methylthiophene13679-72-6 2-Acetyl-4-methylthiophene13679-73-7 2-Acetyl-5-methylthiophene13679-74-8 1-(2-Thienyl)-1-propanone13679-75-9 3-Methoxybenzenethiol15570-12-4

Elsewhere

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