Ethylenediisothiouronium dibromide

Base Information

• Chemical Name: Ethylenediisothiouronium dibromide
• CAS No.: 6943-65-3
• Molecular Formula: C4H10N4S2.2BrH
• Molecular Weight: 340.106
• Hs Code.: 2930909090
• ChEMBL ID: CHEMBL534494
• NSC Number: 57879,54722,25561
• Mol file: 6943-65-3.mol

Synonyms:CHEMBL534494;WLN: MUYZS2SYZUM &EH 2;{[2-(carbamimidoylsulfanyl)ethyl]sulfanyl}methanimidamide hydrobromide;2-{[amino(imino)methyl]thio}ethyl imidothiocarbamate dihydrobromide;Ethylenediisothiouronium dibromide;Ethylenediisothiourea dihydrobromide;NSC25561;NSC-25561;Pseudourea,2-ethylenedithiodi-, dihydrobromide;Pseudourea,2'-ethylenebis(2-thio-, dihydrobromide;Pseudourea,2'-ethylenebis[2-thio-, dihydrobromide;Carbamimidothioic acid,2-ethanediyl ester, dihydrobromide;90746-74-0;NSC54722;NSC57879;BDBM50475950;NSC-54722;NSC-57879;AKOS015915535;ETHYLENEBIS(ISOTHIOURONIUMBROMIDE)

Chemical Property of Ethylenediisothiouronium dibromide

Chemical Property:

• Vapor Pressure: 0.000219mmHg at 25°C
• Melting Point: 229-234 °C(lit.)
• Refractive Index: 1.712
• Boiling Point: 326.2°C at 760 mmHg
• Flash Point: 151.1°C
• PSA: 150.34000
• Density: 1.57g/cm³
• LogP: 3.75600
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.96085
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

22-Ethylenebis(2-thiopseudourea)Dihydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSC(=N)N)SC(=N)N.Br

Technology Process of Ethylenediisothiouronium dibromide

There total 3 articles about Ethylenediisothiouronium dibromide 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: 59.0%

ethylene dibromide (106-93-4) + thiourea (17356-08-0) → ethylenebisisothiuronium dihydrobromide (6943-65-3)

Guidance literature:

In acetone; at 20 ℃; for 144h;

Reference yield:

S-2-bromoethylisothiourea hydrobromide (80410-54-4) + thiourea (17356-08-0) → ethylenebisisothiuronium dihydrobromide (6943-65-3)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; Rate constant; Thermodynamic data; Kinetics; other temperatures, ΔH(excit.), ΔS(excit.);

Reference yield:

S-2-bromoethylisothiourea hydrobromide (80410-54-4) + thiourea (17356-08-0) → bromhydrate de 2-amino Δ1-thiazoline (13483-03-9) + ethylenebisisothiuronium dihydrobromide (6943-65-3)

Guidance literature:

In ethanol; at 100 ℃; Rate constant; sealed capillaries, other temperature (70, 80, 90 deg C), lgA, activation energy;

upstream raw materials:

ethylene dibromide

thiourea

S-2-bromoethylisothiourea hydrobromide

Downstream raw materials:

(ethylenedithio)diacetic acid

1,2-bis(thiocyanato)ethane

di(p-nitrophenyl) disulfide

bis(4-nitrophenyl)sulfide