Methyl thioacetohydroxamate

Base Information

• Chemical Name: Methyl thioacetohydroxamate
• CAS No.: 13749-94-5
• Molecular Formula: C3H7 N O S
• Molecular Weight: 105.161
• Hs Code.: 2930909090
• European Community (EC) Number: 237-332-2
• UNII: ZBW229NU99
• Nikkaji Number: J278.031C
• Metabolomics Workbench ID: 55894
• Mol file: 13749-94-5.mol

Synonyms:methomyl oxime;methomyl oxime, 1-(14)C-labeled

Chemical Property of Methyl thioacetohydroxamate

Chemical Property:

• Vapor Pressure: 0.118mmHg at 25°C
• Melting Point: 93～95℃
• Refractive Index: 1.495
• Boiling Point: 194.1°Cat760mmHg
• PKA: 11.49±0.10(Predicted)
• Flash Point: 71.2°C
• PSA: 53.35000
• Density: 1.1g/cm³
• LogP: 0.87560
• Storage Temp.: 0-6°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 105.02483502
• Heavy Atom Count: 6
• Complexity: 61.8

Purity/Quality:

99% ^*data from raw suppliers

MethomylOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)SC
• Isomeric SMILES: C/C(=N/O)/SC
• Uses: A metabolite of Methomyl, a carbamate pesticide, in post-mortem samples. A metabolite of Methomyl,

Technology Process of Methyl thioacetohydroxamate

There total 4 articles about Methyl thioacetohydroxamate 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: 98.5%

Acetaldehyde oxime (107-29-9) + sodium thiomethoxide (5188-07-8) → S-methyl-N-hydroxy-thioacetimidate (13749-94-5)

Guidance literature:

Acetaldehyde oxime; With chlorine; at 5 ℃; for 0.216667h;

sodium thiomethoxide; With sodium hydroxide; at 10 ℃; for 0.4h;

Reference yield: 91.6%

(E)-acetaldoxime (5780-37-0) + acetohydroxamyl chloride → S-methyl-N-hydroxy-thioacetimidate (13749-94-5)

Guidance literature:

With hydrogenchloride; potassium hydroxide; chlorine; In water;

Reference yield:

C2H4NOS(1-)*Na(1+) + methyl iodide (74-88-4) → S-methyl-N-hydroxy-thioacetimidate (13749-94-5)

Guidance literature:

upstream raw materials:

methyl iodide

(E)-acetaldoxime

Acetaldehyde oxime

sodium thiomethoxide

Downstream raw materials:

Methomyl

N-[2-(4-Phenoxy-phenoxy)-ethoxy]-thioacetimidic acid methyl ester

C₁₂H₁₅N₃O₅S

Refernces

• 1、 -. "Process for chlorination of acetaldoxime". . . Retrieved 2008/06/13.