Dimethylphenacylsulfonium tetrafluoroborate

C₁₀H₁₃BF₄OSCAS 24806-57-3268.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₃BF₄OS
Molar mass: 268.08 g/mol
Exact mass: 268.0716 Da
logP: 3.05Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage100% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

24806-57-3

SMILES

[B-](F)(F)(F)F.C[S+](C)CC(=O)C1=CC=CC=C1

InChIKey

NYDZUKNJLPHOOF-UHFFFAOYSA-N

InChI

InChI=1S/C10H13OS.BF4/c1-12(2)8-10(11)9-6-4-3-5-7-9;2-1(3,4)5/h3-7H,8H2,1-2H3;/q+1;-1

Weigh it out

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

Work with Dimethylphenacylsulfonium tetrafluoroborate

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-Fluoro-1-phenylethanone450-95-346 % similar α-Hydroxyacetophenone582-24-146 % similar Phenacyl bromide70-11-146 % similar Propiophenone93-55-046 % similar Dibenzoylmethane120-46-745 % similar 1,4-Diphenyl-1,4-butanedione495-71-645 % similar 1-(1,1'-Biphenyl)-4-yl-2-bromoethanone135-73-945 % similar 1-[1,1′-Biphenyl]-4-yl-1-propanone37940-57-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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