Orthoformic acid, trithio-, triisopropyl ester

Base Information

• Chemical Name: Orthoformic acid, trithio-, triisopropyl ester
• CAS No.: 16754-59-9
• Molecular Formula: C10H22S3
• Molecular Weight: 238.483
• DSSTox Substance ID: DTXSID601249778
• Nikkaji Number: J142.103D
• Mol file: 16754-59-9.mol

Synonyms:Orthoformic acid, trithio-, triisopropyl ester;Tris(isopropylthio)methane;Propane, 2,2',2''-[methylidynetris(thio)]tris-;16754-59-9;2-[bis(propan-2-ylsulfanyl)methylsulfanyl]propane;DTXSID601249778;2,2',2''-[methanetriyltris(thio)]tripropane;2-([Bis(isopropylsulfanyl)methyl]sulfanyl)propane #

Chemical Property of Orthoformic acid, trithio-, triisopropyl ester

Chemical Property:

• Boiling Point: 304.4±22.0 °C(Predicted)
• PSA: 75.90000
• Density: 1.006±0.06 g/cm3(Predicted)
• LogP: 4.69480
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 238.08836422
• Heavy Atom Count: 13
• Complexity: 97.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)SC(SC(C)C)SC(C)C

Technology Process of Orthoformic acid, trithio-, triisopropyl ester

There total 2 articles about Orthoformic acid, trithio-, triisopropyl 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: 46.0%

2-iodo-propane (75-30-9) + diisopropyl carbonotrithioate (2314-51-4) → diisopropylsulfide (625-80-9) + tris-isopropylsulfanyl-methane (16754-59-9) + tetrakis-isopropylsulfanyl-ethene (39137-72-9)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; electrochemical reduction at a mercury pool;

Reference yield:

tris(phenylthio)methane (4832-52-4) + 2-propanethiol (75-33-2) → tris-isopropylsulfanyl-methane (16754-59-9) + C16H18S3 + C13H20S3

Guidance literature:

With trifluoroacetic acid; at 20 ℃; Sealed tube;

DOI:10.1055/s-0039-1690992

Reference yield:

tris-isopropylsulfanyl-methane (16754-59-9) + tris(p-tolylthio)methane (17241-10-0) → S,S-diisopropyl dithiocarbonate (16118-33-5) + S,S-di-p-tolyl carbonodithioate (24455-26-3) + C18H22S3 + C14H22S3

Guidance literature:

With trifluoroacetic acid; In chloroform-d1; sulfuric acid; at 20 ℃;

DOI:10.1055/s-0039-1690992

upstream raw materials:

2-iodo-propane

diisopropyl carbonotrithioate

tris(phenylthio)methane

2-propanethiol

Downstream raw materials:

S,S-diisopropyl dithiocarbonate

S,S-di-p-tolyl carbonodithioate

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