Di-sec-butyl disulfide

Base Information

• Chemical Name: Di-sec-butyl disulfide
• CAS No.: 5943-30-6
• Molecular Formula: C8H18S2
• Molecular Weight: 178.363
• European Community (EC) Number: 227-702-1
• UNII: P593TCY71H
• DSSTox Substance ID: DTXSID6044698
• Nikkaji Number: J102.652F
• Wikidata: Q27286213
• Metabolomics Workbench ID: 130704
• ChEMBL ID: CHEMBL3189103
• Mol file: 5943-30-6.mol

Synonyms:sec-Butyl Disulfide;Di-sec-butyl disulfide;5943-30-6;sec-Butyldisulfide;2-(butan-2-yldisulfanyl)butane;Disulfide, bis(1-methylpropyl);Di-sec-butyldisulfide;Dibutan-2-yl disulfide;Bis(2-butyl) disulfide;1-Methylpropyl disulfide;Bis(sec-butyl) disulphide;UNII-P593TCY71H;2-butan-2-yldisulfanylbutane;Di(1-methylpropyl) disulfide;bis(1-Methylpropyl) disulfide;CCRIS 5539;P593TCY71H;DTXSID6044698;3,6-Dimethyl-4,5-dithiaoctane;EINECS 227-702-1;di-sec-butyl dissulfide;2-(Sec-butyldisulfanyl)butane;Di-sec-butyl persulfide;2-sec-butyldisulfanylbutane;1,2-di-sec-butyldisulfane;1-methyl-1-propyl disulfide;sec-Butyl disulfide, ~95%;SCHEMBL191109;CHEMBL3189103;DTXCID4024698;FEMA NO. 4578;QTWKINKGAHTPFJ-UHFFFAOYSA-;AMY37144;Tox21_301947;MFCD00009331;NCGC00256215-01;LS-13553;CAS-5943-30-6;sec-Butyl disulfide, technical grade, 90%;CS-0204906;FT-0625311;E85239;EN300-7422024;A832311;Q27286213

Chemical Property of Di-sec-butyl disulfide

Chemical Property:

• Vapor Pressure: 0.166mmHg at 25°C
• Melting Point: -36.74°C (estimate)
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 220.6 °C at 760 mmHg
• Flash Point: 67.2 °C
• PSA: 50.60000
• Density: 0.942 g/cm³
• LogP: 3.96480
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.08499292
• Heavy Atom Count: 10
• Complexity: 63.7

Purity/Quality:

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

sec-Butyl disulfide technical grade, 90% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)SSC(C)CC

Technology Process of Di-sec-butyl disulfide

There total 23 articles about Di-sec-butyl disulfide 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: 100.0%

1-methyl-1-propanethiol (513-53-1,91840-99-2) → sec-butyl disulfide (5943-30-6)

Guidance literature:

With bis(2,2'-bipyridyl) copper(II) permanganate; In dichloromethane; for 0.166667h;

Reference yield: 96.0%

1-methyl-1-propanethiol (513-53-1,91840-99-2) → sec-butyl disulfide (5943-30-6) + C8H18S2Se

Guidance literature:

With bis-(benzotriazol-1-yl)selenide; In dichloromethane; for 3h; Yields of byproduct given;

DOI:10.1016/S0040-4039(97)10383-5

Reference yield: 88.0%

s-butyl bromide (78-76-2,5787-31-5) → sec-butyl disulfide (5943-30-6)

Guidance literature:

With Sodium thiosulfate pentahydrate; water; dimethyl sulfoxide; at 60 - 70 ℃; for 10h; pH=< 3;

DOI:10.1039/c5nj01885d

upstream raw materials:

3,5-diethyl-3,5-dimethyl-[1,2,4]trithiolane

N-butylamine

1-methyl-1-propanethiol

s-butyl chloride

Downstream raw materials:

1-methylpropyl phenyl sulfide

Di-sec-butyl diselenide

[2-(2'-tert-butylphenoxy)-3-(sec-butylthio)phenyl]methoxymethane

S-sec.Butyl-O-ethylphosphorchloridothiolat

Refernces

• 1、 Abbasi, Mohammad,Mohammadizadeh, Mohammad Reza,Saeedi, Narges. "The synthesis of symmetrical disulfides by reacting organic halides with Na2S2O3·5H2O in DMSO". supporting information. p. 89 - 92. Retrieved 2016/01/12.
• 2、 Khalili, Dariush. "Graphene Oxide-Assisted One-Pot and Odorless Synthesis of Symmetrical Disulfides Using Primary and Secondary Alkyl Halides (Tosylates) and Thiourea as Sulfur Source Reagent". . p. 1727 - 1734. Retrieved 2015/12/12.