chempirical

Trimethylsulfonium iodide

C3H9ISCAS 2181-42-2204.07 g/mol

Open in Covalent MOL file
S+I−

Properties

Molecular formula
C3H9IS
Molar mass
204.07 g/mol
Exact mass
203.9470 Da
Melting point
203–207 °C
logP
-2.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
2181-42-2
SMILES
C[S+](C)C.[I-]
InChIKey
VFJYIHQDILEQNR-UHFFFAOYSA-M
InChI
InChI=1S/C3H9S.HI/c1-4(2)3;/h1-3H3;1H/q+1;/p-1

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

Names and synonyms

4 names
  • Sulfonium, trimethyl-, iodide (1:1)
  • Sulfonium, trimethyl-, iodide
  • Trimethylsulphonium iodide
  • Trimethyl-λ[3]-sulfane hydroiodide

Work with Trimethylsulfonium iodide

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 bromide3084-53-550 % similar Sodium iodide (na131I)7790-26-336 % similar Tetramethylammonium iodide75-58-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook