Methyl Phenyl Sulfoxide
CAS1193-82-4
Methyl phenyl sulfoxide (CAS 1193-82-4), also called (methylsulfinyl)benzene, is the aryl methyl sulfoxide obtained by oxidation of thioanisole. It is a low-melting, hygroscopic solid used as a synthetic intermediate, a precursor to sulfoximines and a model substrate in sulfoxide chemistry. KingPharm supplies methyl phenyl sulfoxide for research and manufacturing, with a batch-specific certificate of analysis.
- CAS No.
- 1193-82-4
- Formula
- C7H8OS
- Mol. weight
- 140.2 g/mol
- Appearance
- Off-white Solid or Light-yellow Liquid
Product Description
Methyl phenyl sulfoxide (methylsulfinylbenzene, C7H8OS, MW 140.20) is the sulfoxide of thioanisole. It is a colorless or white solid that melts close to room temperature; reported melting points range from 26 °C to 32 °C.
The sulfinyl group is polar and its sulfur atom is a stereocenter, which makes the compound a prototypical chiral sulfoxide. The S=O group can be activated in Pummerer-type reactions, converted to sulfoximines by NH transfer, or reduced back to the sulfide, and the methyl group next to sulfur can be deprotonated by strong bases for C–C bond formation.
Compared with dimethyl sulfoxide, the phenyl ring gives a higher boiling point and a UV chromophore that makes reactions easy to follow by HPLC. Compared with thioanisole, it is already at the sulfoxide oxidation level, so no oxidation step is needed and over-oxidation to methyl phenyl sulfone is avoided.
When evaluating methyl phenyl sulfoxide, buyers usually check the assay, residual thioanisole and methyl phenyl sulfone, the water content, and moisture-tight packaging. CAS 1193-82-4 refers to the non-stereospecific material; enantiopure grades are specified separately.
Chemical Specifications
Identifiers
| CAS number | 1193-82-4 |
|---|---|
| Product name | Methyl Phenyl Sulfoxide |
| Chinese name | 甲基苯基亚砜 |
| IUPAC name | methylsulfinylbenzene |
| Synonyms | (Methylsulfinyl)Benzene; Phenyl Methyl Sulfoxide; Sulfoxide, Methyl Phenyl; Thioanisole S-Oxide |
| Chinese synonyms | 苯亚砜甲酯; 苯甲亚砜; 苯基甲基亚砜 |
| Molecular formula | C7H8OS |
| Molecular weight | 140.2 g/mol |
| EC number | 214-781-2 |
| MDL number | MFCD00002088 |
| PubChem CID | 14516 |
| InChI | InChI=1/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | JXTGICXCHWMCPM-UHFFFAOYSA-N |
| SMILES | CS(=O)C1=CC=CC=C1 |
Physical and chemical properties
| Appearance | Off-white Solid or Light-yellow Liquid |
|---|
Applications
Methyl phenyl sulfoxide is used mainly as a reagent and intermediate in organic and medicinal chemistry.
Sulfoximine synthesis
NH transfer to methyl phenyl sulfoxide gives S-methyl-S-phenylsulfoximine, a common entry point to sulfoximine motifs in medicinal chemistry.
Pharmaceutical intermediates
It has been used in synthetic routes to nelfinavir, an HIV protease inhibitor, and in other pharmaceutical intermediates.
Isotopically labelled building blocks
It has been used in the preparation of isotopically labelled 1,3-dithiane.
Model substrate in sulfoxide chemistry
It serves as a reference substrate in studies of asymmetric sulfide oxidation, sulfoxide reduction and solvent–water partitioning.
Quality Documentation
The following documents can be provided for Methyl Phenyl Sulfoxide to support technical evaluation and purchasing. Documents are issued for the specific grade and batch supplied.
-
Certificate of Analysis (COA) Batch-specific test results against the specification.
-
Product specification The release specification with test items, limits and methods.
Packaging, Storage & Transport
| Available pack sizes | 10 kg, 1 kg, 500 g, 100 g, 25 g |
|---|
Read the current safety data sheet before handling. Packaging can be adapted to the order quantity and destination.
Frequently Asked Questions
How does methyl phenyl sulfoxide differ from thioanisole and methyl phenyl sulfone?
The three compounds are the sulfide, sulfoxide and sulfone oxidation levels of the same skeleton. Methyl phenyl sulfoxide is the intermediate level: it can be oxidized further to the sulfone or reduced to thioanisole, and it is the only one of the three with a stereogenic sulfur.
The product arrives partly melted. Is that normal?
Yes. Its melting point is close to room temperature, so it may be solid, partly liquid or a mixture after transport. A change of physical state alone does not indicate degradation; warm gently to melt and mix before sampling, and check against the COA.
How should methyl phenyl sulfoxide be stored?
The compound is hygroscopic. Keep the container tightly closed and store at 2–8 °C, protected from moisture.
What is the CAS number of Methyl Phenyl Sulfoxide?
The CAS Registry Number of Methyl Phenyl Sulfoxide is 1193-82-4. Methyl Phenyl Sulfoxide is also known as (Methylsulfinyl)Benzene; Phenyl Methyl Sulfoxide; Sulfoxide, Methyl Phenyl.
What is the molecular formula and molecular weight of Methyl Phenyl Sulfoxide?
The molecular formula of Methyl Phenyl Sulfoxide is C7H8OS, and its molecular weight is 140.2 g/mol.
What is Methyl Phenyl Sulfoxide used for?
Methyl phenyl sulfoxide is used mainly as a reagent and intermediate in organic and medicinal chemistry.
Which quality documents are available for Methyl Phenyl Sulfoxide?
The following documents are available for Methyl Phenyl Sulfoxide: Certificate of Analysis (COA); Product specification. Contact KingPharm to request the documents for a specific batch.
How can I request a quotation for Methyl Phenyl Sulfoxide?
Send an inquiry for Methyl Phenyl Sulfoxide (CAS 1193-82-4) with the required quantity, target specification, destination country and any documentation requirements. KingPharm will confirm availability, packaging, lead time and price.
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Page last reviewed on by Leo Xiao.