trimethylsulfoxonium Iodide

CAS Number: 1774-47-6

Molecular Formula: C3H9IOS

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About trimethylsulfoxonium Iodide

Trimethylsulfoxonium iodide (CAS 1774-47-6) is an essential reagent in the API intermediates market, serving as the primary precursor for dimethyloxosulfonium methylide used in Corey-Chaykovsky cyclopropanation and epoxidation. As a leading bulk chemical supplier, we observe that CDMOs are increasingly integrating thes...

trimethylsulfoxonium Iodide Specifications

CAS Number

1774-47-6

Molecular Formula

C3H9IOS

Molecular Weight

220.07 g/mol

IUPAC Name

trimethyl(oxo)-λ6-sulfanium iodide

Canonical SMILES

C1COCCC1Cl

InChI Key

BPLKQGGAXWRFOE-UHFFFAOYSA-M

InChI

InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1

PubChem CID

74498

EINECS Number

217-204-2

MDL Number

MFCD00011899

HSN No

29309099

CAS Number

1774-47-6

Molecular Formula

C3H9IOS

Molecular Weight

220.07 g/mol

IUPAC Name

trimethyl(oxo)-λ6-sulfanium iodide

Canonical SMILES

C1COCCC1Cl

InChI Key

BPLKQGGAXWRFOE-UHFFFAOYSA-M

InChI

InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1

PubChem CID

74498

EINECS Number

217-204-2

MDL Number

MFCD00011899

HSN No

29309099

Molecular Weight

220.07 g/mol

Melting Point

208-212 °C (dec.)

Boiling Point

215-220 °C

Freezing point

ranging from 110 °C to 212 °C

Density

1.958 g/cm3

PSA

18.1 Å²

logP

-2.6207

Average mass

220.07 g/mol

Monoisotopic mass

219.94188 Da

Molar mass

220.07 g/mol

Vapour pressure

Precautionary Statement Codes

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, and P501

Hazard Classes and Categories

Acute Tox. 5 (17%) Skin Irrit. 2 (61.7%)

Pharmaceutical Synthesis

Trimethylsulfoxonium Iodide is a crucial reagent in the Corey-Chaykovsky reaction used to prepare epoxide intermediates and cyclopropane derivatives, which are essential building blocks for complex pharmaceutical molecules and bioactive peptides

Organic Chemistry Research

It serves as a powerful methylene-transfer and methylating agent, facilitating the introduction of methyl groups and the synthesis of sulfoxides and sulfones in academic and industrial laboratories

Industrial Chemical Manufacturing

The compound is utilized in the production of agrochemicals, fine chemicals, and advanced materials like polymers to enhance thermal stability and chemical resistance.