ETHYLENE TRITHIOCARBONATE

Base Information

• Chemical Name: ETHYLENE TRITHIOCARBONATE
• CAS No.: 822-38-8
• Molecular Formula: C3H4S3
• Molecular Weight: 136.263
• Hs Code.: 29349990
• European Community (EC) Number: 212-498-9
• NSC Number: 6746
• UNII: QE427K8FTH
• DSSTox Substance ID: DTXSID9061172
• Nikkaji Number: J550I
• Wikidata: Q81989346
• Mol file: 822-38-8.mol

Synonyms:Carbonicacid, trithio-, cyclic ethylene ester (6CI,7CI,8CI);Ethylene glycol, cyclictrithiocarbonate (8CI);4,5-Dihydro-1,3-Dithiole-2-thione;Cyclic ethylenetrithiocarbonate;Ethylene trithiocarbonate;NSC 6746;Trithiocarbonic acid,cyclic ethylene ester;

Chemical Property of ETHYLENE TRITHIOCARBONATE

Chemical Property:

• Appearance/Colour: Yellow low melting solid
• Vapor Pressure: 0.00135mmHg at 25°C
• Melting Point: 34-36 °C(lit.)
• Refractive Index: 1.732
• Boiling Point: 307 °C at 760 mmHg
• Flash Point: 139.5 °C
• PSA: 82.69000
• Density: 1.47 g/cm³
• LogP: 1.75130
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.94751365
• Heavy Atom Count: 6
• Complexity: 60.4

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

Ethylene Trithiocarbonate >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=S)S1

Technology Process of ETHYLENE TRITHIOCARBONATE

There total 64 articles about ETHYLENE TRITHIOCARBONATE 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: 97.0%

sodium trithiocarbonate (534-18-9) + ethylene dibromide (106-93-4) → 1,3-dithiolane-2-thione (822-38-8)

Guidance literature:

Aliquat 336; In water; benzene; at 60 ℃; for 8h;

DOI:10.1246/bcsj.62.339

Reference yield: 93.0%

sodium trithiocarbonate (534-18-9) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 1,3-dithiolane-2-thione (822-38-8)

Guidance literature:

Aliquat 336; at 70 ℃; for 1.5h;

DOI:10.1055/s-1986-31819

Reference yield: 91.0%

carbon disulfide (75-15-0,12122-00-8) + 1,2-Diiodoethane (624-73-7) → 1,3-dithiolane-2-thione (822-38-8)

Guidance literature:

With 1H-imidazole; In water; dimethyl sulfoxide; at 45 ℃; for 8h;

DOI:10.1080/17415993.2014.919296

upstream raw materials:

oxirane

carbon disulfide

1,3-dithiolane

1,2-ethanediyl bis(methyl trithiocarbonate)

Downstream raw materials:

2-(benzoylcyanomethylene)-1,3-dithiolane

cyclohexene sulfide

Spiro<3a,4,5,6,7,7a-hexahydro-1,3-benzodithiole-2,2'-<1,3>-dithiolane>

1,3-dithiolan-2-one

Refernces

• 1、 Braun,Kiessel. "-". . p. 631,636,638,641. Retrieved 1965.
• 2、 Xiao, Zhiyin,Wang, Yongli,Chen, Xueyuan,Long, Jiao,Wei, Zhenhong. "Reaction of three cyclic thioester ligands with triiron dodecacarbonyl and possible reaction mechanisms". . p. 1595 - 1601. Retrieved 2017/11/03.
• 3、 Yousefi, Ali. "Superbasic system CsOH/DMSO as a reagent for a fast one-step synthesis of symmetrical dialkyl trithiocarbonates". . p. 672 - 677. Retrieved 2015/11/18.