chloromethanethioic S-acid;S-(chloromethyl) ethanethioate

Base Information

• Chemical Name: chloromethanethioic S-acid;S-(chloromethyl) ethanethioate
• CAS No.: 2812-73-9
• Molecular Formula: C3H5 Cl O S
• Molecular Weight: 124.591
• DSSTox Substance ID: DTXSID00950859
• Mol file: 2812-73-9.mol

Synonyms:DTXSID00950859;chloromethanethioic S-acid;S-(chloromethyl) ethanethioate;Carbonochloridothioic S-acid--S-(chloromethyl) ethanethioate (1/1)

Chemical Property of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate

Chemical Property:

• Vapor Pressure: 5.9mmHg at 25°C
• Melting Point: <40 °C
• Boiling Point: 141.3°Cat760mmHg
• Flash Point: 39.3°C
• PSA: 41.32000
• Density: g/cm³
• LogP: 1.54660
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.9186272
• Heavy Atom Count: 10
• Complexity: 89.8

Purity/Quality:

99% ^*data from raw suppliers

ETHYLCHLOROTHIOFORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SCCl.C(=O)(S)Cl

Technology Process of chloromethanethioic S-acid;S-(chloromethyl) ethanethioate

There total 3 articles about chloromethanethioic S-acid;S-(chloromethyl) ethanethioate 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:

→ methyl chloroformate (79-22-1) + Chlor(thioameisensaeure)-O-ethylester (2812-73-9)

Guidance literature:

Reference yield:

thiophosgene (463-71-8) + ethanol (64-17-5) → thiocarbonic acid O,O'-diethyl ester (762-03-8) + Chlor(thioameisensaeure)-O-ethylester (2812-73-9) + Diethyl carbonate (105-58-8,76619-83-5)

Guidance literature:

With potassium; Yield given. Multistep reaction; 2.) EtOH, THF;

DOI:10.1055/s-1986-31767

Reference yield:

(ethoxydichloromethyl)(methylphenylcarbamoyl)trisulfane (100244-46-0) → (methylphenylcarbamoyl)disulfanyl chloride (100244-49-3) + Chlor(thioameisensaeure)-O-ethylester (2812-73-9)

Guidance literature:

In chloroform-d1;

DOI:10.1021/jo00360a039

upstream raw materials:

thiophosgene

ethanol

(ethoxydichloromethyl)(methylphenylcarbamoyl)trisulfane

Downstream raw materials:

O-ethyl N,2,6-trimethyl-N-phenylthiocarbamate

chloroethane

bis(chlorocarbonyl)(carbamoyl)disulfane

sulfuric acid

Refernces

• 1、 Schroll, Alayne L.,Barany, George. "Novel Symmetrical and Mixed Carbamoyl and Amino Polysulfanes by Reactions of (Alkoxydichloromethyl)polysulfanyl Substrates with N-Methylaniline". . p. 1866 - 1881. Retrieved 2007/10/02.