chempirical

Trimethylsulfonium bromide

C3H9BrSCAS 3084-53-5157.07 g/mol

Open in Covalent MOL file
S+Br−

Properties

Molecular formula
C3H9BrS
Molar mass
157.07 g/mol
Exact mass
155.9608 Da
Melting point
172 °C (decomposes)
logP
-2.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
3084-53-5
SMILES
C[S+](C)C.[Br-]
InChIKey
GOTIICCWNAPLMN-UHFFFAOYSA-M
InChI
InChI=1S/C3H9S.BrH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1

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Names and synonyms

2 names
  • Sulfonium, trimethyl-, bromide (1:1)
  • Sulfonium, trimethyl-, bromide

Work with Trimethylsulfonium 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

Similar compounds

Trimethylsulfonium iodide2181-42-250 % similar Sodium bromide7647-15-636 % similar Bromide24959-67-933 % similar Tetramethylammonium bromide64-20-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook