Hexane, 1,1'-thiobis-

Base Information

• Chemical Name: Hexane, 1,1'-thiobis-
• CAS No.: 6294-31-1
• Molecular Formula: C12H26 S
• Molecular Weight: 202.404
• Hs Code.: 29309099
• European Community (EC) Number: 228-556-1
• NSC Number: 9287
• UNII: QGW37917VO
• DSSTox Substance ID: DTXSID0064206
• Nikkaji Number: J81.179C
• Wikidata: Q1207807
• Mol file: 6294-31-1.mol

Synonyms:Hexyl sulfide;Di-n-hexyl sulfide;6294-31-1;Hexane, 1,1'-thiobis-;Dihexyl sulfide;7-Thiatridecane;Di-n-hexylsulfide;n-Hexyl sulfide;1-hexylsulfanylhexane;Dihexyl sulphide;dihexylsulfane;dihexyl thioether;QGW37917VO;NSC 9287;NSC-9287;EINECS 228-556-1;AI3-18868;Normal-hexyl sulfide;Hexane,1'-thiobis-;Hexyl sulfide, 95%;1-(Hexylsulfanyl)hexane;SFI-6R;1-(Hexylsulfanyl)hexane #;UNII-QGW37917VO;SCHEMBL577358;1,1'-THIOBIS(HEXANE);DTXSID0064206;NSC9287;MFCD00009528;AKOS015897594;AS-56669;CS-0317453;FT-0625185;H0377;D90851;A834111;Q1207807

Chemical Property of Hexane, 1,1'-thiobis-

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: -18°C (estimate)
• Refractive Index: n20/D 1.4587(lit.)
• Boiling Point: 230°C(lit.)
• Flash Point: 113 ºC
• PSA: 25.30000
• Density: 0.849
• LogP: 4.88020
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 202.17552200
• Heavy Atom Count: 13
• Complexity: 71.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

Hexyl Sulfide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1738333
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCSCCCCCC

Technology Process of Hexane, 1,1'-thiobis-

There total 25 articles about Hexane, 1,1'-thiobis- 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: 99.0%

1-bromo-hexane (111-25-1) → hexyl sulfide (6294-31-1)

Guidance literature:

With 18-crown-6 ether; bis(trimethyltin) sulfide; cesium fluoride; In acetonitrile; at 75 ℃; for 1h;

DOI:10.1016/S0040-4039(00)96513-4

Reference yield: 85.0%

1-bromo-hexane (111-25-1) + Hexanethiol (111-31-9) → hexyl sulfide (6294-31-1)

Guidance literature:

With lithium; biphenyl; In tetrahydrofuran; at -30 - 0 ℃; for 6h; Heating / reflux;

Reference yield: 85.0%

dihexyl sulphoxide (2180-20-3) → hexyl sulfide (6294-31-1)

Guidance literature:

With titanium(IV) iodide; In acetonitrile; at 0 ℃; for 0.166667h;

upstream raw materials:

1-hexene

1-bromo-hexane

Hexanethiol

dihexyl sulphoxide

Downstream raw materials:

hydrogenchloride

perfluoro-n-hexylsulfurpentafluoride

hexane

Hexanethiol

Refernces

• 1、 Ribeiro Neto, Pedro B.,Santana, Sonydelane O.,Levitre, Guillaume,Galdino, Danilo,Oliveira, Jadson L.,Ribeiro, Rogério T.,Barros, Maria E. S. B.,Bieber, Lothar W.,Menezes, Paulo H.,Navarro, Marcelo. "Electrochemical synthesis of organochalcogenides in aqueous medium". supporting information. p. 657 - 661. Retrieved 2016/02/12.
• 2、 Nagashima, Sayoko,Yamazaki, Hitomi,Kudo, Kentaro,Kamiguchi, Satoshi,Chihara, Teiji. "S-Acylation of aliphatic and aromatic thiols with carboxylic acids and their esters over solid acid catalysts in the gas phase at temperatures above 200 °c". . p. 332 - 338. Retrieved 2013/07/26.