Carbonic acid, dithio-, anhydrosulfide, O,O-dibutyl ester

Base Information

• Chemical Name: Carbonic acid, dithio-, anhydrosulfide, O,O-dibutyl ester
• CAS No.: 4092-75-5
• Molecular Formula: C10H18O2S3
• Molecular Weight: 266.45
• DSSTox Substance ID: DTXSID80193924
• Nikkaji Number: J48.455E
• Wikidata: Q83066659
• Mol file: 4092-75-5.mol

Synonyms:Butylxanthogenic acid thioanhydride;Xanthic acid, butyl-, anhydrosulfide ester;4092-75-5;BRN 1783911;Formic acid, thiobis(thio-, O,O-dibutyl ester;CARBONIC ACID, DITHIO-, ANHYDROSULFIDE, O,O-DIBUTYL ESTER;3-03-00-00349 (Beilstein Handbook Reference);Bis(thiocarbonic acid O-butyl)thioanhydride;DTXSID80193924;C10H18O2S3;C10-H18-O2-S3;LS-51993;Thiodicarbonic acid ([(HO)C(S)]2S), dibutyl ester

Chemical Property of Carbonic acid, dithio-, anhydrosulfide, O,O-dibutyl ester

Chemical Property:

• Vapor Pressure: 0.000706mmHg at 25°C
• Boiling Point: 317.7°Cat760mmHg
• Flash Point: 145.9°C
• PSA: 107.94000
• Density: 1.157g/cm³
• LogP: 3.92280
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 266.04689333
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=S)SC(=S)OCCCC

Technology Process of Carbonic acid, dithio-, anhydrosulfide, O,O-dibutyl ester

There total 7 articles about Carbonic acid, dithio-, anhydrosulfide, O,O-dibutyl 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: 95.0%

potassium butylxanthate (871-58-9) → bis(butoxythiocarbonyl) sulphide (4092-75-5)

Guidance literature:

With phosgene; In acetone; toluene; for 0.5h; Ambient temperature;

Reference yield:

S-(ethoxycarbonyl) O-ethyl dithiocarbonate (3278-35-1) + potassium butylxanthate (871-58-9) → bis(ethoxythiocarbonyl) sulfide (2905-52-4) + bis(ethoxycarbonyl) sulphide (36955-31-4) + bis(butoxythiocarbonyl) sulphide (4092-75-5) + S-(ethoxycarbonyl) O-butyldithiocarbonate (65573-07-1) + S-ethoxythiocarbonyl O-butyl dithiocarbonate (82524-67-2)

Guidance literature:

In ethanol; at 0 ℃; for 3h; Product distribution; other periods of time;

Reference yield:

Bis-butylxanthogen (105-77-1) → bis(butoxythiocarbonyl) sulphide (4092-75-5)

Guidance literature:

With potassium cyanide; ethanol; at 0 - 10 ℃;

upstream raw materials:

Bis-butylxanthogen

S-(ethoxycarbonyl) O-ethyl dithiocarbonate

potassium butylxanthate

O-Butyl carbonochloridothioate

Downstream raw materials:

S-trimethylsilyl O-butyldithiocarbonate

N-butoxythiocarbonyl-N-methyl aniline

S-(4-nitrobenzoyl)-O-butyldithiocarbonate

Dibutyl carbonate

Refernces

• 1、 Palominos, Mario A.,Santos, Jose G.,Valderrama, Jaime A.,Vega, Juan C.. "Pyrothiocarbonates. Part 2. Reaction of S-Ethoxycarbonyl O-Ethyl Dithiocarbonate with some Potassium O-Alkylthiocarbonates". . p. 2641 - 2643. Retrieved 2007/10/02.