chempirical

1-(2-Thienyl)-1-propanone

C7H8OSCAS 13679-75-9140.20 g/mol

Open in Covalent MOL file
OS
Ketone

Properties

Molecular formula
C7H8OS
Molar mass
140.20 g/mol
Exact mass
140.0296 Da
Density
1.139 g/mL (at 20 °C)
Boiling point
128–129 °C (at 25 Torr)
logP
2.34Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
13679-75-9
SMILES
CCC(=O)c1cccs1
InChIKey
MFPZQZZWAMAHOY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 1-Propanone, 1-(2-thienyl)-
  • Ethyl 2-thienyl ketone
  • 2-Propionylthiophene
  • 2-Propanoylthiophene
  • 1-(Thiophen-2-yl)propan-1-one
  • NSC 76041

Work with 1-(2-Thienyl)-1-propanone

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

1-(2-Thienyl)-1-butanone5333-83-568 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-661 % similar γ-Oxo-2-thiophenebutanoic acid4653-08-154 % similar 3-Dimethylamino-1-(2-thienyl)-1-propanone hydrochloride5424-47-554 % similar Ethyl 2-thiophenecarboxylate2810-04-053 % similar Thenoyltrifluoroacetone326-91-051 % similar Ethyl 2-thienylglyoxylate4075-58-549 % similar Propiophenone93-55-048 % 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 3-Methoxybenzenethiol15570-12-4 5-Ethyl-2-thiophenecarboxaldehyde36880-33-8

Elsewhere

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