Dibenzyl cyanocarbonimidodithioate

Base Information

• Chemical Name: Dibenzyl cyanocarbonimidodithioate
• CAS No.: 31350-31-9
• Molecular Formula: C16H14 N2 S2
• Molecular Weight: 298.433
• Hs Code.: 2930909090
• European Community (EC) Number: 674-511-8
• DSSTox Substance ID: DTXSID20356339
• Mol file: 31350-31-9.mol

Synonyms:Dibenzyl cyanocarbonimidodithioate;31350-31-9;bis(benzylsulfanyl)methylidenecyanamide;dibenzyl cyanodithioimidocarbonate;SCHEMBL9047087;DTXSID20356339;bis(benzylsulfanyl)methylenecyanamide;MFCD01830408;bis(phenylmethylthio)methylidenecyanamide;[bis(benzylsulfanyl)methylidene](cyano)amine;A820807;AA-516/30131011;J-018389

Chemical Property of Dibenzyl cyanocarbonimidodithioate

Chemical Property:

• Vapor Pressure: 2.22E-08mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 452.6°C at 760 mmHg
• Flash Point: 227.5°C
• PSA: 86.75000
• Density: 1.13g/cm³
• LogP: 4.69028
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 298.05984080
• Heavy Atom Count: 20
• Complexity: 323

Purity/Quality:

97% ^*data from raw suppliers

DIBENZYL CYANOCARBONIMIDODITHIOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC(=NC#N)SCC2=CC=CC=C2

Technology Process of Dibenzyl cyanocarbonimidodithioate

There total 2 articles about Dibenzyl cyanocarbonimidodithioate 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: 94.0%

benzyl bromide (100-39-0) + potassium cyanocarbonimidodithioate (13145-41-0) → bis(benzylmercapto)methylene cyanamide (31350-31-9)

Guidance literature:

In water; 1.) 0-15 deg C, 1 h, 2.) 25-30 deg C, 1 d;

Reference yield:

benzyl chloride (100-44-7) → bis(benzylmercapto)methylene cyanamide (31350-31-9)

Guidance literature:

With ethanol;

Reference yield: 80.0%

ammonium hexafluorophosphate + bis(2,2'-bipyridine)dichlororuthenium(II) dihydrate + bis(benzylmercapto)methylene cyanamide (31350-31-9) → Ru((C5H4N)2)2(S2(CH2C6H5)2CNCN)(2+)*2PF6(1-)={Ru((C5H4N)2)2(S2(CH2C6H5)2CNCN)}(PF6)2

Guidance literature:

In water; a suspn. of Ru-compd. and the ligand soln. in H2O is refluxed for 2 h, soln. is cond. to about one third by distn., the concentrate is extd. with ether and an excess of solid NH4PF6 is added (N2); purification by recrystn. from acetone/ether, dried under reduced pressure, elem. anal.;

DOI:10.1016/S0277-5387(00)84483-6

upstream raw materials:

benzyl bromide

potassium cyanocarbonimidodithioate

benzyl chloride

Downstream raw materials:

5-(benzylsulfanyl)-1H-[1,2,4]-triazol-3-amine

S-benzyl-N-cyano-isothiourea

trithioallophanic acid benzyl ester

S-benzyl-N-cyano-N'-phenyl-isothiourea