2-Bromo-1-(3-thienyl)-1-ethanone

C₆H₅BrOSCAS 1468-82-2205.07 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₆H₅BrOS
Molar mass: 205.07 g/mol
Exact mass: 203.9244 Da
logP: 2.33Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H319 Causes serious eye irritation92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

1468-82-2

SMILES

C1=CSC=C1C(=O)CBr

InChIKey

TXEJYUFJFSPCHH-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrOS/c7-3-6(8)5-1-2-9-4-5/h1-2,4H,3H2

Weigh it out

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

Names and synonyms

1 names

2-Bromo-1-(thiophen-3-yl)ethan-1-one

Work with 2-Bromo-1-(3-thienyl)-1-ethanone

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

1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-753 % similar Phenacyl bromide70-11-153 % similar 3-Thiophenecarbonyl chloride41507-35-152 % similar 4-Bromophenacyl bromide99-73-050 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-548 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-248 % similar 2′-Bromo-4-chloroacetophenone536-38-948 % similar 2-Bromo-4'-methylacetophenone619-41-048 % 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-Acetyl-5-bromothiophene5370-25-2 1-(4-Bromo-2-thienyl)ethan-1-one7209-11-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook