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

C6H5BrOSCAS 7209-11-2205.07 g/mol

Open in Covalent MOL file
OSBr
Aryl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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