Phosphorothioic acid, O,O-diethyl S-[2-(phenylthio)ethyl] ester

Base Information

• Chemical Name: Phosphorothioic acid, O,O-diethyl S-[2-(phenylthio)ethyl] ester
• CAS No.: 19397-34-3
• Molecular Formula: C₁₂H₁₉O₃PS₂
• Molecular Weight: 306.387
• DSSTox Substance ID: DTXSID101173893

Synonyms:DTXSID101173893;Phosphorothioic acid, O,O-diethyl S-[2-(phenylthio)ethyl] ester;19397-34-3

Chemical Property of Phosphorothioic acid, O,O-diethyl S-[2-(phenylthio)ethyl] ester

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 306.05132381
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(OCC)SCCSC1=CC=CC=C1

Technology Process of Phosphorothioic acid, O,O-diethyl S-[2-(phenylthio)ethyl] ester

There total 3 articles about Phosphorothioic acid, O,O-diethyl S-[2-(phenylthio)ethyl] 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: 62.0%

2-Chloroethyl phenyl sulfide (5535-49-9) → thiophosphoric acid O,O'-diethyl ester-S-(2-phenylsulfanyl-ethyl ester) (19397-34-3)

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1007/BF00951083

Reference yield:

O,O-diethyl-S-(2-bromoethyl)thiophosphate (91725-32-5) + sodium thiophenolate (930-69-8) → thiophosphoric acid O,O'-diethyl ester-S-(2-phenylsulfanyl-ethyl ester) (19397-34-3)

Guidance literature:

With ethanol;

Reference yield:

→ thiophosphoric acid O,O'-diethyl ester-S-(2-phenylsulfanyl-ethyl ester) (19397-34-3)

Guidance literature:

Monothiophosphorsaeure-O,O-diaethyl-S-<2-brom-aethyl>-ester, Na-Thiophenolat, A., Ae.;

upstream raw materials:

O,O-diethyl-S-(2-bromoethyl)thiophosphate

sodium thiophenolate

2-Chloroethyl phenyl sulfide

Downstream raw materials:

thiophosphoric acid O,O'-diethyl ester-S-(2-benzenesulfonyl-ethyl ester)

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