2-Acetyl-5-methylthiophene
Properties
- Molecular formula
- C7H8OS
- Molar mass
- 140.20 g/mol
- Exact mass
- 140.0296 Da
- Density
- 1.12 g/mL (at 25 °C)
- Melting point
- 27.5 °C
- Boiling point
- 232.5 °C
- logP
- 2.26Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
13679-74-8SMILES
CC(=O)c1ccc(C)s1InChIKey
YOSDTJYMDAEEAZ-UHFFFAOYSA-NInChI
InChI=1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Ethanone, 1-(5-methyl-2-thienyl)-
- Ketone, methyl 5-methyl-2-thienyl
- 1-(5-Methyl-2-thienyl)ethanone
- Methyl 5-methyl-2-thienyl ketone
- 2-Methyl-5-acetylthiophene
- 5-Methyl-2-thienyl methyl ketone
- 1-(5-Methylthiophen-2-yl)ethanone
- 1-(5-Methylthiophen-2-yl)ethan-1-one
Work with 2-Acetyl-5-methylthiophene
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Methyl-2-thiophenecarboxylic acid1918-79-257 % similar
2-Acetyl-5-bromothiophene5370-25-257 % similar
2-Acetyl-5-chlorothiophene6310-09-457 % similar
5-Acetyl-2-thiophenecarboxylic acid4066-41-555 % similar
2,5-Dimethylthiophene638-02-846 % similar
3-Acetyl-2,5-dimethylthiophene2530-10-145 % similar
2-Acetylbenzothiophene22720-75-843 % similar
1,4-Diacetylbenzene1009-61-641 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds