Hydron;thiophosphate

Base Information

• Chemical Name: Hydron;thiophosphate
• CAS No.: 13598-51-1
• Molecular Formula: H3O3 P S
• Molecular Weight: 114.062
• Mol file: 13598-51-1.mol

Synonyms:

Chemical Property of Hydron;thiophosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 102.59000
• Density: 2.149g/cm³
• LogP: -0.16160
• 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: [H+].[H+].[H+].[O-]P(=S)([O-])[O-]
• General Description: Thiophosphoric acid (H3PO3S), also known as monothiophosphoric acid or phosphorothionic acid, is a phosphorus-containing acid where one oxygen atom in phosphoric acid is replaced by sulfur. The study highlights its formation as esters through the reaction of sulfenyl chlorides with trialkyl phosphites, demonstrating its relevance in synthetic chemistry and potential applications, such as in cancer chemotherapy, particularly with derivatives like the 6-chloro thioester acting as mustard analogs. The rapid reaction kinetics suggest high reactivity, comparable to acyl halides, making thiophosphoric acid derivatives accessible for further functionalization and biological evaluation.

Technology Process of Hydron;thiophosphate

There total 10 articles about Hydron;thiophosphate 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

The Reaction of Sulfenyl Chlorides with Trialkyl Phosphites1

10.1021/ja01606a062

The study investigates the reaction of sulfenyl chlorides with trialkyl phosphites, resulting in the formation of esters of monothiophosphoric acid. Various alkyl and aromatic sulfenyl chlorides, such as methanesulfenyl chloride, benzenesulfenyl chloride, and p-chloroethanesulfenyl chloride, were reacted with triethyl phosphite, tri-n-propyl phosphite, and tri-n-butyl phosphite. The reactions were rapid, even at Dry Ice temperatures, indicating a nucleophilic displacement of chloride accompanied by the elimination of alkyl chloride. The study also compared the reactivity of these sulfenyl chlorides with that of sulfur monochloride and noted that the sulfenyl chlorides reacted at least as readily as acyl halides, which are known to react exothermally with tertiary phosphites. The compounds synthesized were used for biological testing in cancer chemotherapy studies, with particular interest in the 6-chloro thioester as a potential mustard analog.

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