chempirical

2-Acetyl-5-bromothiophene

C6H5BrOSCAS 5370-25-2205.07 g/mol

Open in Covalent MOL file
OBrS
Aryl halideKetone

Properties

Molecular formula
C6H5BrOS
Molar mass
205.07 g/mol
Exact mass
203.9244 Da
Melting point
94.5 °C
Boiling point
105–107 °C (at 4.5 Torr)
logP
2.71Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5370-25-2
SMILES
CC(=O)c1ccc(Br)s1
InChIKey
IGBZCOWXSCWSHO-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Ethanone, 1-(5-bromo-2-thienyl)-
  • Ketone, 5-bromo-2-thienyl methyl
  • 1-(5-Bromo-2-thienyl)ethanone
  • 5-Bromo-2-acetylthiophene
  • 5-Acetyl-2-bromothiophene
  • 2-Bromo-5-acetylthiophene
  • NSC 80366
  • 1-(5-Bromothiophen-2-yl)ethanone
  • 1-(5-Bromothiophen-2-yl)ethan-1-one

Work with 2-Acetyl-5-bromothiophene

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-methylthiophene13679-74-857 % similar 2-Acetyl-5-chlorothiophene6310-09-455 % similar 5-Bromo-2-thiophenecarboxylic acid7311-63-955 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-553 % similar (5-Bromo-2-thienyl)phenylmethanone31161-46-350 % similar 2,5-Dibromothiophene3141-27-344 % similar 2-Acetylbenzothiophene22720-75-842 % similar 2-Bromo-5-methylthiophene765-58-240 % similar

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

Same formula

2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-6 2-Bromo-1-(3-thienyl)-1-ethanone1468-82-2

Elsewhere

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