2-Chloroethyl methyl sulfide

Base Information

• Chemical Name: 2-Chloroethyl methyl sulfide
• CAS No.: 542-81-4
• Molecular Formula: C3H7ClS
• Molecular Weight: 110.608
• Hs Code.: 2930909090
• European Community (EC) Number: 208-828-6
• NSC Number: 91724
• UNII: 422D246XB5
• DSSTox Substance ID: DTXSID50202557
• Nikkaji Number: J35.932G
• Wikidata: Q72450180
• Mol file: 542-81-4.mol

Synonyms:2-chloroethyl methyl sulfide;CEMS

Chemical Property of 2-Chloroethyl methyl sulfide

Chemical Property:

• Vapor Pressure: 7.81mmHg at 25°C
• Refractive Index: n20/D 1.496(lit.)
• Boiling Point: 140 °C at 760 mmHg
• Flash Point: 42.2 °C
• PSA: 25.30000
• Density: 1.069 g/cm³
• LogP: 1.58820
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 109.9956991
• Heavy Atom Count: 5
• Complexity: 16.4

Purity/Quality:

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

2-Chloroethyl Methyl Sulfide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,T
• Statements: 10-20/22-34-23/24-22-45
• Safety Statements: 26-36/37/39-45-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CSCCCl
• Uses: 2-Chloroethyl methyl sulfide is a monofunctional chemical analog of sulfur mustard and has been used to study the potential of 2,6-dithiopurine as an antagonist of sulfur mustard.

Technology Process of 2-Chloroethyl methyl sulfide

There total 5 articles about 2-Chloroethyl methyl sulfide 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: 83.0%

2-methylmercapto-ethanol (5271-38-5) → sulfure de methyle et de 2-chloroethyle (542-81-4)

Guidance literature:

With thionyl chloride; In chloroform; for 4h; Reflux;

DOI:10.1021/jm301303p

Reference yield: 70.0%

→ sulfure de methyle et de 2-chloroethyle (542-81-4)

Guidance literature:

Reference yield:

Methanesulfenyl chloride (5813-48-9) + ethene (74-85-1) → sulfure de methyle et de 2-chloroethyle (542-81-4)

Guidance literature:

With calcium carbonate; In dichloromethane;

DOI:10.1021/ja01010a029

upstream raw materials:

methylthiol

chloroethylene

2-methylmercapto-ethanol

Methanesulfenyl chloride

Downstream raw materials:

cyclohexyl-phenyl-acetic acid-(2-methylsulfanyl-ethyl ester)

2,2'-dimethyl-benzilic acid-(2-methylsulfanyl-ethyl ester)

4-dimethylamino-2-(2-methylsulfanyl-ethyl)-2-phenyl-butyronitrile

1-[2-(methylsulfanyl)ethoxy]benzene

Refernces

• 1、 Huang, Zhangjian,Kaur, Jatinder,Bhardwaj, Atul,Alsaleh, Nasser,Reisz, Julie A.,DuMond, Jenna F.,King, S. Bruce,Seubert, John M.,Zhang, Yihua,Knaus, Edward E.. "O2-sulfonylethyl protected isopropylamine diazen-1-ium-1,2- diolates as nitroxyl (HNO) donors: Synthesis, β-elimination fragmentation, HNO release, positive inotropic properties, and blood pressure lowering studies". supporting information. p. 10262 - 10271. Retrieved 2013/01/16.
• 2、 Skaddan, Marc B.,Wuest, Frank R.,Katzenellenbogen, John A.. "Synthesis and Binding Affinities of Novel Re-Containing 7α-Substituted Estradiol Complexes: Models for Breast Cancer Imaging Agents". . p. 8108 - 8121. Retrieved 2007/10/03.