Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride

Base Information

• Chemical Name: Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride
• CAS No.: 63680-28-4
• Molecular Formula: C6H12Cl2N4S2
• Molecular Weight: 275.226
• DSSTox Substance ID: DTXSID70979931
• Mol file: 63680-28-4.mol

Synonyms:Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride;63680-28-4;4-carbamimidoylsulfanylbut-2-ynyl carbamimidothioate;dihydrochloride;2,2'-(2-Butynylene)bis(2-thiopseudourea), dihydrochloride;DTXSID70979931;Pseudourea, 2,2'-(2-butynylene)bis(2-thio-, dihydrochloride;AKOS030509938;But-2-yne-1,4-diyl dicarbamimidothioate--hydrogen chloride (1/2)

Chemical Property of Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride

Chemical Property:

• Vapor Pressure: 2.09E-05mmHg at 25°C
• Boiling Point: 361.3°Cat760mmHg
• Flash Point: 172.3°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 273.9880441
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C#CCSC(=N)N)SC(=N)N.Cl.Cl

Technology Process of Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride

There total 1 articles about Pseudourea, 2,2'-(2-butynylene)dithiodi-, dihydrochloride 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: 75.0%

thiourea (17356-08-0) + 1,4-Dichloro-2-butyne (821-10-3) → S,S'-(but-2-yn-1,4-diyl)bis(isothiuronium) dichloride (63680-28-4)

Guidance literature:

In ethyl acetate; for 10h; Reflux;

DOI:10.1007/s11172-015-1121-1

Reference yield: 92.0%

S,S'-(but-2-yn-1,4-diyl)bis(isothiuronium) dichloride (63680-28-4) + benzyl chloride (100-44-7) → 1,4-bis(benzylsulfanyl)but-2-yne (86737-77-1)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; at 15 - 20 ℃; for 12h;

DOI:10.1007/s11172-015-1121-1

upstream raw materials:

thiourea

1,4-Dichloro-2-butyne

Downstream raw materials:

1,4-bis(benzylsulfanyl)but-2-yne