methylsulfanyl-[(S)-methylsulfinyl]methane

Base Information

• Chemical Name: methylsulfanyl-[(S)-methylsulfinyl]methane
• CAS No.: 33577-16-1
• Molecular Formula: C3H8OS2
• Molecular Weight: 124.228
• Hs Code.: 29309070
• Metabolomics Workbench ID: 146904
• Mol file: 33577-16-1.mol

Synonyms:1d7i;DB02311

Chemical Property of methylsulfanyl-[(S)-methylsulfinyl]methane

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Vapor Pressure: 0.023mmHg at 25°C
• Melting Point: 222-226°C
• Refractive Index: 1.548-1.558
• Boiling Point: 257.8 °C at 760 mmHg
• Flash Point: 121.4 °C
• PSA: 61.58000
• Density: 1.223 g/cm³
• LogP: 1.55110
• Sensitive.: Hygroscopic
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 124.00165722
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl (Methylsulfinyl)methyl Sulfide >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 37/39-26-24/25-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCS(=O)C
• Isomeric SMILES: CSC[S@@](=O)C
• Uses: (Methylthio)dimethyl sulfoxide is a essential oil from fruit of Gallesia integrifolia exhibit antifungal activity against Aspergillus fumigatus, Aspergillus niger and Aspergillus ochraceus.

Technology Process of methylsulfanyl-[(S)-methylsulfinyl]methane

There total 5 articles about methylsulfanyl-[(S)-methylsulfinyl]methane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

2,4-dithiapentane (1618-26-4) → methyl methylsulfinylmethyl sulfide (33577-16-1)

Guidance literature:

With ammonium nitrate; ammonium bromide; In dichloromethane; at 20 ℃; for 0.666667h; chemoselective reaction;

DOI:10.1590/S0103-50532010000100006

Reference yield: 6.0%

2,4-dithiapentane (1618-26-4) → methyl((methylsulfonyl)methyl)sulfane (20163-71-7) + methyl methylsulfinylmethyl sulfide (33577-16-1)

Guidance literature:

With phosphate buffer; In ethanol; at 30 ℃; Acinetobacter calcoaceticus NCIMB 9871;

DOI:10.1016/S0040-4020(97)00647-9

Reference yield:

chloromethyl methyl sulfoxide (21128-88-1) + sodium thiomethoxide (5188-07-8) → methyl methylsulfinylmethyl sulfide (33577-16-1)

Guidance literature:

In chloroform;

upstream raw materials:

2,4-dithiapentane

chloromethyl methyl sulfoxide

sodium thiomethoxide

Dimethyldisulphide

Downstream raw materials:

phenylacetaldehyde dimethyl dithioacetal

2-(p-Chlorphenyl)-1-methylsulfinyl-1-methylthio-ethylen

5-((E)-2-Methanesulfinyl-2-methylsulfanyl-vinyl)-1,2,3-trimethoxy-benzene

methyl[(E)-1-(methylsulfinyl)-2-phenylvinyl]sulfane

Refernces

• 1、 Cao, Zhong-Yan,Li, Xiaolong,Lu, Hao,Wang, Panpan,Wang, Shengqiang,Xu, Xiaobo,Yan, Leyu,Yang, A-Xiu. "Selective synthesis of sulfoxides and sulfonesviacontrollable oxidation of sulfides withN-fluorobenzenesulfonimide". supporting information. p. 8691 - 8695. Retrieved 2021/10/22.
• 2、 Koziakov, Denis,Majek, Michal,Jacobi Von Wangelin, Axel. "Metal-free radical thiolations mediated by very weak bases". supporting information. p. 11347 - 11352. Retrieved 2016/12/16.