S-Decyl p-toluenethiosulfonate

Base Information

• Chemical Name: S-Decyl p-toluenethiosulfonate
• CAS No.: 28519-33-7
• Molecular Formula: C17H28 O2 S2
• Molecular Weight: 328.533
• Hs Code.: 2930909090
• NSC Number: 124770
• DSSTox Substance ID: DTXSID40182738
• Nikkaji Number: J48.056H
• Wikidata: Q83053447
• ChEMBL ID: CHEMBL2007493
• Mol file: 28519-33-7.mol

Synonyms:S-Decyl p-toluenethiosulfonate;28519-33-7;p-Toluenesulfonic acid, thio-, S-decyl ester;Benzenesulfonothioic acid, 4-methyl-, S-decyl ester;NSC124770;S-Decyl 4-methylbenzenesulfonothioate;NSC 124770;BRN 2700606;CHEMBL2007493;DTXSID40182738;p-Toluenesulfonic acid, S-decyl ester;NSC-124770;1-decylsulfanylsulfonyl-4-methyl-benzene;Benzenesulfonothioic acid, S-decyl ester;NCI60_000578

Chemical Property of S-Decyl p-toluenethiosulfonate

Chemical Property:

• Vapor Pressure: 1.09E-07mmHg at 25°C
• Boiling Point: 444.7°Cat760mmHg
• Flash Point: 222.8°C
• PSA: 67.82000
• Density: 1.059g/cm³
• LogP: 6.63840
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 328.15307248
• Heavy Atom Count: 21
• Complexity: 338

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of S-Decyl p-toluenethiosulfonate

There total 2 articles about S-Decyl p-toluenethiosulfonate 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: 62.0%

decylthiol (143-10-2) + toluene-4-sulfonic acid hydrazide (1576-35-8) → S-decyl 4-methylbenzenesulfonothioate (28519-33-7)

Guidance literature:

With tert.-butylhydroperoxide; copper(ll) bromide; In acetonitrile; at 80 ℃; for 2h; Schlenk technique;

DOI:10.1021/acs.joc.7b01121

Reference yield:

1-bromo dodecane (112-29-8) + potassium thiotosylate (28519-50-8) → S-decyl 4-methylbenzenesulfonothioate (28519-33-7)

Guidance literature:

In water; acetone; Heating;

DOI:10.1021/jm00335a028

upstream raw materials:

1-bromo dodecane

potassium thiotosylate

decylthiol

toluene-4-sulfonic acid hydrazide

Refernces

• 1、 WEIDNER,BLOCK. "ALKYL AND ARYL THIOLSULFONATES.". . p. 671 - 673. Retrieved 2007/10/05.