Phosphonothioic acid, methyl-, O,O-dimethyl ester

Base Information

• Chemical Name: Phosphonothioic acid, methyl-, O,O-dimethyl ester
• CAS No.: 681-06-1
• Molecular Formula: C3H9O2PS
• Molecular Weight: 140.143
• DSSTox Substance ID: DTXSID50218294
• Nikkaji Number: J363.970C
• Wikidata: Q83095140
• Mol file: 681-06-1.mol

Synonyms:O,O-Dimethyl methylphosphonothioate;681-06-1;Phosphonothioic acid, methyl-, O,O-dimethyl ester;Dimethyl methylphosphonothionate;Methylthiophosphonic acid O,O-dimethyl ester;C3H9O2PS;SCHEMBL115330;DTXSID50218294;methyldi(methoxy)phosphine sulphide;LS-107148

Chemical Property of Phosphonothioic acid, methyl-, O,O-dimethyl ester

Chemical Property:

• Vapor Pressure: 14.5mmHg at 25°C
• Refractive Index: 1.4738
• Boiling Point: 125.8°C at 760 mmHg
• Flash Point: 29.9°C
• PSA: 60.36000
• Density: 1.141g/cm³
• LogP: 1.86910
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.00608770
• Heavy Atom Count: 7
• Complexity: 84.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=S)(C)OC

Technology Process of Phosphonothioic acid, methyl-, O,O-dimethyl ester

There total 3 articles about Phosphonothioic acid, methyl-, O,O-dimethyl ester 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: 92.0%

methanol (67-56-1) + methylphosphonothioic dichloride (676-98-2) → dimethyl methylphosphonothionate (681-06-1)

Guidance literature:

at 20 ℃; for 4h;

Reference yield:

sodium methylate (124-41-4) + methylphosphonothioic dichloride (676-98-2) → dimethyl methylphosphonothionate (681-06-1)

Guidance literature:

With methanol;

DOI:10.1021/ja01548a037

Reference yield:

→ dimethyl methylphosphonothionate (681-06-1)

Guidance literature:

Methylthiophosphonsaeuredichlorid, Na-Methylat-Lsg., Kochen;

upstream raw materials:

methanol

methylphosphonothioic dichloride

sodium methylate

Downstream raw materials:

3-methylene-cyclohexene

1-tert-butyl-4-methylenecyclohexane

methylphosphonic acid dichloroanhydride

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