1-Butanesulfonothioic acid, S-butyl ester

Base Information

• Chemical Name: 1-Butanesulfonothioic acid, S-butyl ester
• CAS No.: 1118-40-7
• Molecular Formula: C8H18O2S2
• Molecular Weight: 210.362
• DSSTox Substance ID: DTXSID90456916
• Nikkaji Number: J1.767.606G
• Wikidata: Q82279533
• Mol file: 1118-40-7.mol

Synonyms:1118-40-7;1-Butanesulfonothioic acid, S-butyl ester;SCHEMBL7537281;DTXSID90456916;1-Butanethiosulfonic acid S-butyl ester

Chemical Property of 1-Butanesulfonothioic acid, S-butyl ester

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 210.07482216
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSS(=O)(=O)CCCC

Technology Process of 1-Butanesulfonothioic acid, S-butyl ester

There total 3 articles about 1-Butanesulfonothioic acid, S-butyl 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:

n-butanethiol (109-79-5) → dibutyl disulfide (629-45-8) + S-butyl butanethiosulfonate (1118-40-7) + bis(n-butylthio)selenide (75272-64-9)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; water; at 25 ℃; Rate constant; Mechanism; pH 0.22-8.1;

DOI:10.1021/ja00533a025

Reference yield:

diethyl ether (60-29-7,927820-24-4) + butane-1-sulfinyl chloride (13455-88-4) → S-butyl butanethiosulfonate (1118-40-7) + piperidine hydrochloride (6091-44-7)

Guidance literature:

Reference yield:

1-butanesulfinic acid (5675-04-7) → butane-1-sulfonic acid (2386-47-2) + S-butyl butanethiosulfonate (1118-40-7)

Guidance literature:

at 100 ℃; Beim Erwaermen unter Stickstoff;

upstream raw materials:

1-butanesulfinic acid

n-butanethiol

diethyl ether

butane-1-sulfinyl chloride

Downstream raw materials:

(n-butylthio)benzene

lithium butane-1-sulfinate

butyl-(2,4-dinitro-phenyl)-sulfone