Trimethylsulfonium bromide

C₃H₉BrSCAS 3084-53-5157.07 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

Trimethylsulfonium iodide2181-42-2Salt

Similar compounds

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