s-Methyl morpholine-4-carbothioate

Base Information

• Chemical Name: s-Methyl morpholine-4-carbothioate
• CAS No.: 6944-41-8
• Molecular Formula: C6H11 N O2 S
• Molecular Weight: 161.225
• NSC Number: 58733
• DSSTox Substance ID: DTXSID10989291
• Nikkaji Number: J1.871.804I
• Wikidata: Q82978273
• Mol file: 6944-41-8.mol

Synonyms:6944-41-8;s-methyl morpholine-4-carbothioate;NSC58733;SCHEMBL21924012;DTXSID10989291;NSC-58733

Chemical Property of s-Methyl morpholine-4-carbothioate

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Boiling Point: 260.5°Cat760mmHg
• Flash Point: 111.3°C
• Density: 1.205g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.05104977
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=O)N1CCOCC1

Technology Process of s-Methyl morpholine-4-carbothioate

There total 3 articles about s-Methyl morpholine-4-carbothioate 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:

morpholine (110-91-8,99108-56-2) + S-methyl O-(4-nitrophenyl) thiocarbonate → S-methyl morpholinecarbothioate (6944-41-8) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0)

Guidance literature:

With potassium chloride; In ethanol; water; at 25 ℃; Concentration; Solvent; Kinetics;

DOI:10.1002/kin.20562

Reference yield:

morpholine (110-91-8,99108-56-2) + O-(2,4-dinitrophenyl) S-methyl thiocarbonate (6132-46-3) → S-methyl morpholinecarbothioate (6944-41-8) + 2,4-Dinitrophenol (51-28-5)

Guidance literature:

With potassium chloride; In ethanol; water; at 25 ℃; Concentration; Solvent; Kinetics;

DOI:10.1002/kin.20562

Reference yield:

morpholine (110-91-8,99108-56-2) + methyl thiochloroformate (18369-83-0) → S-methyl morpholinecarbothioate (6944-41-8) + methylthiol (74-93-1) + carbon dioxide (124-38-9,18923-20-1)

Guidance literature:

With potassium chloride; water; In acetonitrile; at 25 ℃; pH=8.48; Further Variations:; pH-values; Kinetics;

DOI:10.1016/j.tet.2006.03.013

upstream raw materials:

morpholine

methyl thiochloroformate

O-(2,4-dinitrophenyl) S-methyl thiocarbonate

Refernces

• 1、 Castro, Enrique A.,Aliaga, Margarita,Gazitúa, Marcela,Santos, José G.. "Kinetics and mechanisms of the reactions of S-methyl chlorothioformate with pyridines and secondary alicyclic amines". . p. 4863 - 4869. Retrieved 2007/10/03.