chempirical

3-Acetyl-2,5-dimethylthiophene

C8H10OSCAS 2530-10-1154.23 g/mol

Open in Covalent MOL file
OS
Ketone

Properties

Molecular formula
C8H10OS
Molar mass
154.23 g/mol
Exact mass
154.0452 Da
Boiling point
126 °C (at 28 Torr)
logP
2.57Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2530-10-1
SMILES
CC(=O)c1cc(C)sc1C
InChIKey
PUSJAEJRDNPYKM-UHFFFAOYSA-N
InChI
InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(2,5-dimethyl-3-thienyl)-
  • Ketone, 2,5-dimethyl-3-thienyl methyl
  • 1-(2,5-Dimethyl-3-thienyl)ethanone
  • 2,5-Dimethyl-3-acetylthiophene
  • 1-(2,5-Dimethylthiophen-3-yl)ethanone
  • 1-(2,5-Dimethylthiophen-3-yl)ethan-1-one

Work with 3-Acetyl-2,5-dimethylthiophene

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-Acetyl-5-methylthiophene13679-74-845 % similar 1-(2,4,5-Trimethylphenyl)ethanone2040-07-544 % similar 2,3,5-Trimethylthiophene1795-05-743 % similar 3-Acetyl-2,5-dichlorothiophene36157-40-142 % similar 1,2-Diacetylbenzene704-00-740 % similar 4,6-Diacetylresorcinol2161-85-539 % similar 3-Acetyl-2,5-dimethylfuran10599-70-939 % similar 1-(2,5-Dimethylphenyl)ethanone2142-73-639 % similar

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

Same formula

3-Methoxythioanisole2388-74-1 3-Methyl-4-(methylthio)phenol3120-74-9 4-(Methylthio)benzenemethanol3446-90-0 1-(2-Thienyl)-1-butanone5333-83-5 4-Methoxybenzylthiol6258-60-2 2-(Phenylthio)ethanol699-12-7

Elsewhere

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