2-Methyl-1,3-dithiolane

Base Information

• Chemical Name: 2-Methyl-1,3-dithiolane
• CAS No.: 5616-51-3
• Molecular Formula: C4H8S2
• Molecular Weight: 120.24
• Hs Code.: 29349990
• European Community (EC) Number: 227-038-2
• NSC Number: 227863
• UNII: 4O81R0SPR0
• DSSTox Substance ID: DTXSID8063963
• Nikkaji Number: J91.174G
• Wikidata: Q27260281
• Metabolomics Workbench ID: 47240
• Mol file: 5616-51-3.mol

Synonyms:2-Methyl-1,3-dithiolane;5616-51-3;1,3-DITHIOLANE, 2-METHYL-;2-Methyl-1,3-dithiacyclopentane;FEMA No. 3705;EINECS 227-038-2;NSC 227863;UNII-4O81R0SPR0;4O81R0SPR0;NSC-227863;1,3-Dithiolane,2-methyl-;NSC227863;CC1SCCS1;SCHEMBL761708;Acetaldehdye ethylene thioacetal;DTXSID8063963;FEMA 3705;MFCD01729666;2-Methyl-1,3-dithiolane, AldrichCPR;AKOS025396842;2-METHYL-1,3-DITHIOLANE [FHFI];AS-81346;LS-63281;CS-0365126;F75650;Q27260281

Chemical Property of 2-Methyl-1,3-dithiolane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 1.58mmHg at 25°C
• Refractive Index: 1.561
• Boiling Point: 174.9 °C at 760 mmHg
• Flash Point: 62.4 °C
• PSA: 50.60000
• Density: 1.116 g/cm³
• LogP: 1.81240
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 120.00674260
• Heavy Atom Count: 6
• Complexity: 38.8

Purity/Quality:

99% ^*data from raw suppliers

2-METHYL-1,3-DITHIOLANE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 23-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1SCCS1
• Description: 2-Methyl-1,3-dithiolane has a burnt, alliaceous odor.

Technology Process of 2-Methyl-1,3-dithiolane

There total 8 articles about 2-Methyl-1,3-dithiolane 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: 66.0%

ethane-1,2-dithiol (540-63-6) + acetaldehyde (75-07-0,9002-91-9) → 2-methyl-[1,3]dithiolane (5616-51-3)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; for 0.5h; Reflux;

DOI:10.1002/mrc.2764

Reference yield: 58.0%

2-methyl-2-(trimethylsilyl)-1,3-dithiolane → 2-methyl-[1,3]dithiolane (5616-51-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; water; at 0 - 20 ℃;

DOI:10.3762/bjoc.13.185

Reference yield:

poly(ethylene sulfide) → thirane (420-12-2) + 2-methyl-[1,3]dithiolane (5616-51-3) + thiophene (188290-36-0,8014-23-1,25233-34-5) + dimethylacetylene (503-17-3)

Guidance literature:

at 700 ℃; Product distribution;

DOI:10.1021/ma0116250

upstream raw materials:

ethane-1,2-dithiol

acetaldehyde

1,2-dichloro-ethane

divinyl sulfide

Downstream raw materials:

2,3-dihydro-1,4-dithiin

[1-(2-Methylsulfanyl-ethylsulfanyl)-ethoxymethyl]-benzene

{3-Methyl-1-[1-(2-methylsulfanyl-ethylsulfanyl)-ethoxy]-butyl}-benzene

Refernces

• 1、 Wragg,R.T.. "-". . p. 404 - 408. Retrieved 1970.
• 2、 Sundarrajan,Surianarayanan,Srinivasan,Kishore. "Thermal degradation processes in polysulfide copolymers investigated by direct pyrolysis mass spectrometry and flash pyrolysis - Gas chromatography/mass spectrometry". . p. 3331 - 3337. Retrieved 2007/10/03.