Phosphorothioic acid

Base Information

• Chemical Name: Phosphorothioic acid
• CAS No.: 13598-51-1
• Molecular Formula: H3O3 P S
• Molecular Weight: 114.062
• UNII: TYM4M7EWCW
• DSSTox Substance ID: DTXSID8074948
• Nikkaji Number: J293.917G
• Wikipedia: Thiophosphoric_acid
• Wikidata: Q2421303
• Mol file: 13598-51-1.mol

Synonyms:diethyl thiophosphate;sodium thiophosphate;thiophosphate;thiophosphoric acid;thiophosphoric acid, trisodium salt

Chemical Property of Phosphorothioic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 102.59000
• Density: 2.149g/cm³
• LogP: -0.16160
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 113.95405212
• Heavy Atom Count: 5
• Complexity: 53

Purity/Quality:

99%, ^*data from raw suppliers

THIOPHOSPHORIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: OP(=S)(O)O

Technology Process of Phosphorothioic acid

There total 10 articles about Phosphorothioic acid 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: 48.0%

hydrogenchloride (7647-01-0,15364-23-5) + trisodium thiophosphate → monothioorthophosphoric acid (13598-51-1)

Guidance literature:

In hydrogenchloride; diethyl ether; shaking Na3PO3S wth HCl in presence of Et2O at ca. -10°C; quick sepn. of organic phase, drying (molecular sieves); obtained as ether soln.;

Reference yield:

tetraphosphorus nonasulfide (25070-46-6) + water (7732-18-5) → monothioorthophosphoric acid (13598-51-1) + monothiophosphorous acid (25758-73-0) + H2SOPOPO2SH2

Guidance literature:

In neat (no solvent); byproducts: H3PO2S2, H3PO4, H3PO3; keeping ground P4S9 in moist air; extn. with ether; not isolated, identification as Na or NH4 salts;

Reference yield:

tetraphosphorus decasulfide (15857-57-5) → monothioorthophosphoric acid (13598-51-1)

Guidance literature:

With 150N base oil; dodecylphenol; at 70 - 125 ℃; for 2h; Reagent/catalyst;

upstream raw materials:

thiophosphoryl fluoride

water

trichlorothiophosphine

thiophosphoryl(V) bromide

Refernces

• 1、 Sayer, Alon Haim,Itzhakov, Yehudit,Stern, Noa,Nadel, Yael,Fischer, Bilha. "Characterization of complexes of nucleoside-5′-phosphorothioate analogues with zinc ions". . p. 10886 - 10896. Retrieved 2013/10/22.