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

C₆H₅BrOSCAS 10531-41-6205.07 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

Danger

H302 Harmful if swallowed85.1% of notifiers
H314 Causes severe skin burns and eye damage97.9% of notifiers
H317 May cause an allergic skin reaction85.1% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

10531-41-6

SMILES

C1=CSC(=C1)C(=O)CBr

InChIKey

UHWNENCHFSDZQP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-(2-Bromoacetyl)thiophene

Work with 2-Bromo-1-(thiophen-2-yl)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

1-(2-Thienyl)-1-propanone13679-75-961 % similar 2-Thenoylacetonitrile33898-90-758 % similar 1-(2-Thienyl)-1-butanone5333-83-558 % similar γ-Oxo-2-thiophenebutanoic acid4653-08-154 % similar 2-Thienyl ketone704-38-152 % similar 2,2'-Thenil7333-07-552 % similar 2-Octanoylthiophene30711-41-251 % similar Thenoyltrifluoroacetone326-91-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1-(3-thienyl)-1-ethanone1468-82-2 2-Acetyl-5-bromothiophene5370-25-2 1-(4-Bromo-2-thienyl)ethan-1-one7209-11-2

Elsewhere

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