2,3,5-Trithiahexane

Base Information

• Chemical Name: 2,3,5-Trithiahexane
• CAS No.: 42474-44-2
• Molecular Formula: C3H8S3
• Molecular Weight: 140.295
• European Community (EC) Number: 639-609-7
• NSC Number: 710988
• UNII: OSU2L4337E
• DSSTox Substance ID: DTXSID80195261
• Nikkaji Number: J127.428G
• Wikidata: Q27161829
• Metabolomics Workbench ID: 45173
• ChEMBL ID: CHEMBL1988732
• Mol file: 42474-44-2.mol

Synonyms:2,3,5-Trithiahexane;42474-44-2;2,4,5-Trithiahexane;Disulfide, methyl (methylthio)methyl;Methyl methylthiomethyl disulfide;(methyldisulfanyl)-methylsulfanylmethane;Methyl (methylthio)methyl disulfide;UNII-OSU2L4337E;OSU2L4337E;CHEBI:89632;NISTC42474442;Methane, (methyldithio)(methylthio)-;(Methyldisulfanyl)(methylsulfanyl)methane;SCHEMBL563411;CHEMBL1988732;FEMA NO. 4021;1-(Methylthio)dimethyl disulfide;DTXSID80195261;(methyldithio)(methylthio)-Methane;Methyl(methylthio)methyl disulphide;Methyl (methylthio)methyl disulphide;Methyl (methylthiomethyl) persulfide;methyldisulfanyl-methylsulfanylmethane;NSC710988;2,3,5-TRITHIAHEXANE [FHFI];AKOS015950879;NSC-710988;NCI60_039030;Q27161829

Chemical Property of 2,3,5-Trithiahexane

Chemical Property:

• Vapor Pressure: 1.12mmHg at 25°C
• Boiling Point: 182.1°Cat760mmHg
• Flash Point: 63°C
• PSA: 75.90000
• Density: 1.169g/cm³
• LogP: 2.31810
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.97881378
• Heavy Atom Count: 6
• Complexity: 22

Purity/Quality:

95%, 99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCSSC

Technology Process of 2,3,5-Trithiahexane

There total 7 articles about 2,3,5-Trithiahexane 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: 61.0%

1,3,5-trithiahexane (29414-48-0) → Dimethyldisulphide (624-92-0) + 2,3,5-trithiahexane (42474-44-2) + 2,3,5,7-tetrathiaoctane + 2,4,6,7,9,11-hexathiadodecane

Guidance literature:

With iodine; triethylamine; In benzene; or in toluene;

Reference yield: 1.2%

Dimethyldisulphide (624-92-0) → methanethiosulfonic acid S-methyl ester (2949-92-0,31761-75-8) + dimethyl tetrasulfide (5756-24-1) + 2,4-dithiapentane (1618-26-4) + dimethyltrisulfane (3658-80-8) + 2,3,5-trithiahexane (42474-44-2) + 2,3,5,6-tetrathiaheptane (103439-78-7)

Guidance literature:

With oxygen; In cyclohexane; at 30 - 40 ℃; for 11.5h; Product distribution; Mechanism; Irradiation; var. solvent, time;

DOI:10.1016/0040-4039(95)01698-H

Reference yield:

methylthiol (74-93-1) → dimethyl tetrasulfide (5756-24-1) + Dimethyldisulphide (624-92-0) + 2,4-dithiapentane (1618-26-4) + dimethyltrisulfane (3658-80-8) + 2,3,5-trithiahexane (42474-44-2)

Guidance literature:

With water; argon; hydrogen; under 0.2 Torr; Mechanism; Product distribution; Ambient temperature; microwave discharge; var. temp., reagents, systems (argon, H₂ gas);

upstream raw materials:

1,3,5-trithiahexane

methyl radical

Dimethyldisulphide

methane

Refernces

• 1、 Hausmann, M.,Homann, K. H.. "Analysis of Radicals from Flames by Scavenging with Dimethyl Disulfide". . p. 1308 - 1312. Retrieved 2007/10/02.
• 2、 Kubitza,Schottler,Homann. "SCAVENGING OF RADICALS FROM THE GAS PHASE BY FREEZING WITH DIMETHYL DISULFIDE: 2. RADICALS FROM DISCHARGES AND A FLAME OF ACETYLENE.". . p. 695 - 700. Retrieved 2007/10/02.