Phosphorothioic acid, O,S-dimethyl ester

Base Information

• Chemical Name: Phosphorothioic acid, O,S-dimethyl ester
• CAS No.: 42576-53-4
• Molecular Formula: C2H7O3PS
• Molecular Weight: 142.116
• DSSTox Substance ID: DTXSID10195355
• Nikkaji Number: J660.996A
• Wikidata: Q83068255
• Mol file: 42576-53-4.mol

Synonyms:Phosphorothioic acid, O,S-dimethyl ester;O,S-Dimethyl phosphorothioate;42576-53-4;methoxy(methylsulfanyl)phosphinic acid;O,S-Dimethyl thiophosphate;SCHEMBL6907202;DTXSID10195355;o,s-dimethyl hydrogen thiophosphate

Chemical Property of Phosphorothioic acid, O,S-dimethyl ester

Chemical Property:

• Vapor Pressure: 0.037mmHg at 25°C
• Boiling Point: 222.8°Cat760mmHg
• Flash Point: 88.5°C
• Density: 1.372g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 141.98535225
• Heavy Atom Count: 7
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(O)SC

Technology Process of Phosphorothioic acid, O,S-dimethyl ester

There total 5 articles about Phosphorothioic acid, O,S-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:

C2H8NO3PS → methylphosphate (812-00-0) + O,S-dimethyl phosphorothiolate (42576-53-4)

Guidance literature:

In water; at 20 ℃; Further Variations:; pH-values; Reaction partners; Solvents; Temperatures; Kinetics;

DOI:10.1021/tx9701135

Reference yield:

sodium O,S-dimethyl phosphorothioate (32586-90-6) → O,S-dimethyl phosphorothiolate (42576-53-4)

Guidance literature:

With acid;

DOI:10.1021/tx9600715

Reference yield:

O,O,S-trimethyl phosphorothioate (152-20-5) → O,S-dimethyl phosphorothiolate (42576-53-4)

Guidance literature:

With acetone; sodium iodide;

upstream raw materials:

O,O,S-trimethyl phosphorothioate

O,O,O-trimethylthiophosphate

sodium O,S-dimethyl phosphorothioate

Downstream raw materials:

O,O,S-trimethyl phosphorothioate