3H-1,2-Dithiole-3-thione

Base Information

• Chemical Name: 3H-1,2-Dithiole-3-thione
• CAS No.: 534-25-8
• Molecular Formula: C3H2S3
• Molecular Weight: 134.247
• Hs Code.: 2930909090
• European Community (EC) Number: 208-595-0
• UNII: WT2QF220RR
• DSSTox Substance ID: DTXSID7037052
• Nikkaji Number: J150.687K
• Wikidata: Q26840878
• NCI Thesaurus Code: C63644
• Metabolomics Workbench ID: 47016
• ChEMBL ID: CHEMBL368700
• Mol file: 534-25-8.mol

Synonyms:1,2-dithiol-3-thione;1,2-dithiole-3-thione;3H-1,2-dithiole-3-thione;D3T compound

Chemical Property of 3H-1,2-Dithiole-3-thione

Chemical Property:

• Vapor Pressure: 0.0763mmHg at 25°C
• Melting Point: 79-81°C
• Refractive Index: 1.806
• Boiling Point: 235.5 °C at 760 mmHg
• Flash Point: 96.2 °C
• PSA: 88.57000
• Density: 1.56g/cm³
• LogP: 2.53910
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 133.93186358
• Heavy Atom Count: 6
• Complexity: 94.2

Purity/Quality:

99%, ^*data from raw suppliers

3H-1,2-Dithiole-3-thione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CSSC1=S
• Uses: A chemoprotective chemical. It is known to induce detoxication enzymes and inhibit chemica-induced tumors in multiple tissues. A chemoprotective chemical. It is known to induce detoxication enzymes and inhibit chemica-induced tumors in multiple tissues

Technology Process of 3H-1,2-Dithiole-3-thione

There total 12 articles about 3H-1,2-Dithiole-3-thione 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: 69.6%

malonaldehydebis(dimethylacetal) (102-52-3) → 1,2-dithiole-3-thione (534-25-8)

Guidance literature:

With pyridine; sulfur; tetraphosphorus decasulfide; at 130 ℃;

DOI:10.1021/acs.jafc.9b06360

Reference yield: 58.0%

carbon disulfide (75-15-0,12122-00-8) + acetylene (74-86-2,25067-58-7) → 1,2-dithiole-3-thione (534-25-8)

Guidance literature:

acetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.5h;

carbon disulfide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

With sulfur; isopropylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2014.07.104

Reference yield: 52.0%

1,4-di(n-propyl)tetrasulfane (52687-98-6) → 1,2-dithiole-3-thione (534-25-8)

Guidance literature:

at 350 ℃;

upstream raw materials:

propene

dipropyl trisulfide

1,4-di(n-propyl)tetrasulfane

malonaldehydebis(dimethylacetal)

Refernces

• 1、 Adams, Harry,Hughes, Amelia J.,Morris, Michael J.,Quenby, Sophia I.A.. "Convenient one-pot syntheses of 1,2-dithiole-3-thiones and 3-imino-1,2-dithioles from terminal alkynes". . p. 5283 - 5285. Retrieved 2015/02/02.
• 2、 Charbonnel-Jobic, Gaelle,Guemas, Jean-Pierre,Adelaere, Bruno,Parrain, Jean-Luc,Quintard, Jean-Paul. "N2S2 tetradentate ligands for soft cationic species: preparation of new ligands of potential interest in nuclear medicine". . p. 624 - 636. Retrieved 2007/10/02.