Disodium;1,2-dicyanoethene-1,2-dithiolate

Base Information

• Chemical Name: Disodium;1,2-dicyanoethene-1,2-dithiolate
• CAS No.: 5466-54-6
• Molecular Formula: C4H2 N2 S2 . 2 Na
• Molecular Weight: 186.169
• Hs Code.: 2930909090
• European Community (EC) Number: 627-236-2
• DSSTox Substance ID: DTXSID601027241
• Nikkaji Number: J2.137.569A,J539.076A,J27.807F
• Wikidata: Q7553332
• Wikipedia: Sodium_maleonitriledithiolate
• Mol file: 5466-54-6.mol

Synonyms:Disodium Dimercaptomaleonitrile;disodium;1,2-dicyanoethene-1,2-dithiolate;5466-54-6;Sodium maleonitriledithiolate;SCHEMBL1359865;SCHEMBL1360056;SCHEMBL9816709;UIEQIOFOWZBELJ-GSBNXNDCSA-L;UIEQIOFOWZBELJ-UHFFFAOYSA-L;DTXSID601027241;Dimercaptomaleonitrile Disodium Salt;AKOS003614391;D1930;Disodium (E)-1,2-dicyano-1,2-ethenebis(thiolate);disodium (Z)-1,2-dicyanoethene-1,2-bis(thiolate);Q7553332

Chemical Property of Disodium;1,2-dicyanoethene-1,2-dithiolate

Chemical Property:

• Vapor Pressure: 0.139mmHg at 25°C
• Boiling Point: 216.6°Cat760mmHg
• Flash Point: 84.8°C
• PSA: 98.18000
• Density: 1.385g/cm³
• LogP: 1.64016
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 185.92982892
• Heavy Atom Count: 10
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Dimercaptomaleonitrile disodium salt hydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(=C(C#N)[S-])[S-].[Na+].[Na+]
• Uses: Dimercaptomaleonitrile disodium salt may be used in the preparation of cis-2,3-bis[6-(1,2-closo-dodecarboranyl)hexylthio] maleonitrile.

Technology Process of Disodium;1,2-dicyanoethene-1,2-dithiolate

There total 11 articles about Disodium;1,2-dicyanoethene-1,2-dithiolate 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: 55.0%

sodium N,N-diethyldithiocarbamate (148-18-5) + tetracyano-1,4-dithiine (2448-55-7) → 1,2-dicyanovinylene 1,2-bis(diethyldithiocarbamate) (4618-16-0) + disodium cis-1,2-dicyano-1,2-ethylenedithiolate (5466-54-6)

Guidance literature:

In acetone; for 1h;

DOI:10.1021/jo01313a019

Reference yield: 40.0%

sodium carbonocyanidodithioate (33498-03-2) → disodium cis-1,2-dicyano-1,2-ethylenedithiolate (5466-54-6)

Guidance literature:

DOI:10.1016/S0040-4039(00)99154-8

Reference yield:

6-(4-Methylpiperazin-1-yl)carbonyloxy-7-(4-nitrophenyl)-8-oxo-3,4,7,8-tetrahydro-2H,6H-dithiepino[1,4][2,3-c]pyrrole + 6-hydroxy-7-(4-nitrophenyl)-8-oxo-3,4,7,8-tetrahydro-2H,6H-dithiepino[1,4][2,3-c]pyrrole + 4-methylpiperazine-1-carbonyl chloride monohydrochloride (55112-42-0) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → disodium cis-1,2-dicyano-1,2-ethylenedithiolate (5466-54-6)

Guidance literature:

With pyridine; sodium hydroxide; triethylamine; In diethyl ether; ethanol; dichloromethane; di-isopropyl ether; acetonitrile;

upstream raw materials:

sodium carbonocyanidodithioate

sodium N,N-diethyldithiocarbamate

tetracyano-1,4-dithiine

carbon disulfide

Downstream raw materials:

((Z)-1,2-Dicyano-2-phenoxycarbonylmethylsulfanyl-vinylsulfanyl)-acetic acid phenyl ester

(Z)-2,3-Bis-(4-ethyl-3-nitro-benzylsulfanyl)-but-2-enedinitrile

Bis-β-phenethylmercapto-maleinsaeure-dinitril

2,3-bis(benzylsulfanyl)maleonitrile