Trimethylsulfoxonium bromide

C₃H₉BrOSCAS 25596-24-1173.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₉BrOS
Molar mass: 173.07 g/mol
Exact mass: 171.9557 Da
logP: -2.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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

25596-24-1

SMILES

C[S+](=O)(C)C.[Br-]

InChIKey

KEPJZBFFLDRKSF-UHFFFAOYSA-M

InChI

InChI=1S/C3H9OS.BrH/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1

Weigh it out

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

Work with Trimethylsulfoxonium bromide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Trimethylsulfoxonium iodide1774-47-6Salt Trimethyloxosulphonium chloride5034-06-0Salt

Elsewhere

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