Trimethylsulfoxonium iodide

C₃H₉IOSCAS 1774-47-6220.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₉IOS
Molar mass: 220.07 g/mol
Exact mass: 219.9419 Da
Melting point: 200 °C
logP: -2.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H303 May be harmful if swallowed17% of notifiers
H315 Causes skin irritation61.7% of notifiers
H319 Causes serious eye irritation63.8% of notifiers
H320 Causes eye irritation17% of notifiers
H335 May cause respiratory irritation57.4% of notifiers
H401 Toxic to aquatic life17% of notifiers
H411 Toxic to aquatic life with long lasting effects34% 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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1774-47-6

SMILES

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

InChIKey

BPLKQGGAXWRFOE-UHFFFAOYSA-M

InChI

InChI=1S/C3H9OS.HI/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.

Names and synonyms

7 names

Sulfoxonium, trimethyl-, iodide (1:1)
Sulfoxonium, trimethyl-, iodide
Trimethylsulfonium iodide, oxide
Trimethyloxosulfonium iodide
Trimethyloxosulphonium iodide
S,S,S-Trimethylsulfoxonium iodide
NSC 71213

Work with Trimethylsulfoxonium 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.

Trimethyloxosulphonium chloride5034-06-0Salt Trimethylsulfoxonium bromide25596-24-1Salt

Elsewhere

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