Trimethylsulfonium iodide

C₃H₉ISCAS 2181-42-2204.07 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

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

Weigh it out

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

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 bromide3084-53-5Salt

Similar compounds

Sodium iodide7681-82-536 % 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