Pentane, 1,5-bis(methylthio)-

Base Information

• Chemical Name: Pentane, 1,5-bis(methylthio)-
• CAS No.: 54410-63-8
• Molecular Formula: C7H16S2
• Molecular Weight: 164.33
• Hs Code.: 2930909090
• NSC Number: 95140
• DSSTox Substance ID: DTXSID20294207
• Nikkaji Number: J101.532J
• Wikidata: Q82033365
• Mol file: 54410-63-8.mol

Synonyms:Pentane, 1,5-bis(methylthio)-;54410-63-8;1,5-BIS-(METHYLTHIO)-PENTANE;2,8-Dithianonane;1,5-Bis(methylthio)pentane;1,5-Bis(methylsulfanyl)pentane;1,5-Bis-(methylthio)pentane;NSC95140;Pentane,5-bis(methylthio)-;SCHEMBL7156424;DTXSID20294207;AHJYQSDQHJYGCW-UHFFFAOYSA-N;1,5-Bis(methylsulfanyl)pentane #;NSC-95140;AKOS024332519

Chemical Property of Pentane, 1,5-bis(methylthio)-

Chemical Property:

• Vapor Pressure: 0.126mmHg at 25°C
• Boiling Point: 225.9°C at 760 mmHg
• Flash Point: 83.1°C
• PSA: 50.60000
• Density: 0.955g/cm³
• LogP: 2.88270
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 164.06934286
• Heavy Atom Count: 9
• Complexity: 40.2

Purity/Quality:

99%min ^*data from raw suppliers

1,5-BIS-(METHYLTHIO)-PENTANE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCCCCSC

Technology Process of Pentane, 1,5-bis(methylthio)-

There total 8 articles about Pentane, 1,5-bis(methylthio)- 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: 82.0%

pentane-1,5-dithiol (928-98-3) + carbonic acid dimethyl ester (616-38-6) → 2,8-dithianonane (54410-63-8)

Guidance literature:

With 18-crown-6 ether; potassium carbonate; at 100 ℃; for 8h;

DOI:10.1055/s-1986-31642

Reference yield: 78.0%

pentane-1,5-dithiol (928-98-3) + methyl iodide (74-88-4) → 2,8-dithianonane (54410-63-8)

Guidance literature:

With n-butyllithium;

Reference yield: 62.0%

poly(pentamethylenedisulfide) + methyl iodide (74-88-4) → 2,8-dithianonane (54410-63-8)

Guidance literature:

poly(pentamethylenedisulfide); With sodium hydroxide; hydrazine hydrate; In water; at 75 ℃; for 2h;

methyl iodide; In water; at 40 ℃;

upstream raw materials:

1,5-dibromo-pentane

sodium thiomethoxide

thiourea

methylthiol

Downstream raw materials:

toluene-4-sulfonic acid ; tetra-S-methyl-S,S'-pentanediyl-di sulfonium-salt

Pentamethylen-1,5-bis-dimethylsulfonium

Refernces

• 1、 -. "Chlorination of aromatic compounds and catalysts therefor". . . Retrieved 2008/06/13.
• 2、 Lissel, Manfred,Schmidt, Stefan,Neumann, Beate. "Dimethylcarbonat als Methylierungsmittel unter phasen-transfer-katalytischen Bedingungen". . p. 382 - 383. Retrieved 2007/10/02.