1-(4-Bromo-2-thienyl)ethan-1-one

C₆H₅BrOSCAS 7209-11-2205.07 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₆H₅BrOS
Molar mass: 205.07 g/mol
Exact mass: 203.9244 Da
logP: 2.71Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7209-11-2

SMILES

CC(=O)C1=CC(=CS1)Br

InChIKey

HXVLWNKFMNRJED-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrOS/c1-4(8)6-2-5(7)3-9-6/h2-3H,1H3

Weigh it out

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

Work with 1-(4-Bromo-2-thienyl)ethan-1-one

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-4-methylthiophene13679-73-758 % similar 4-Bromo-2-thiophenecarboxylic acid16694-18-156 % similar 2-Acetyl-4-chlorothiophene34730-20-656 % similar Methyl 4-bromothiophene-2-carboxylate62224-16-256 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-150 % similar 1-(5-Bromo-4-methylthiophen-2-yl)ethanone859199-06-744 % similar 3-Bromoacetophenone2142-63-444 % similar P-Bromoacetophenone99-90-144 % 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 2-Acetyl-5-bromothiophene5370-25-2

Elsewhere

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