Pseudourea, 2,2'-trimethylenedithiodi-, hydrobromide

Base Information

• Chemical Name: Pseudourea, 2,2'-trimethylenedithiodi-, hydrobromide
• CAS No.: 5442-32-0
• Molecular Formula: C5H12 N4 S2 . 2 Br H
• Molecular Weight: 354.133
• Hs Code.: 2930909090
• European Community (EC) Number: 226-635-5
• NSC Number: 12755
• DSSTox Substance ID: DTXSID50982120
• Mol file: 5442-32-0.mol

Synonyms:Trimethyleneisothiouronium bromide;USAF IN-2;PROPYLENE DIISOTHIURONIUM DIBROMIDE;Pseudourea, 2-thio-, trimethylene-, bromide;Pseudourea, 2,2'-trimethylenedithiodi-, hydrobromide;Pseudourea, 2,2'-trimethylenebis(2-thio-, hydrobromide;5442-32-0;64039-23-2;DTXSID50982120;WLN: MUYZS3SYZUM &EH 2;NSC12755;NSC-12755;LS-126269;2-(3-carbamimidoylsulfanylpropyl)isothiourea;Pseudourea,2'-trimethylenedithiodi-, dihydrobromide;2,2'-Trimethylenebis[2-thio-pseudourea], hydrobromide;Pseudourea,2'-trimethylenebis[2-thio-, dihydrobromide;Carbamimidothioic acid,3-propanediyl ester, dihydrobromide;Propane-1,3-diyl dicarbamimidothioate--hydrogen bromide (1/1)

Chemical Property of Pseudourea, 2,2'-trimethylenedithiodi-, hydrobromide

Chemical Property:

• Vapor Pressure: 6.86E-05mmHg at 25°C
• Boiling Point: 343.8°Cat760mmHg
• Flash Point: 161.7°C
• PSA: 150.34000
• Density: g/cm³
• LogP: 3.18800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 271.97650
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

PROPYLENE DIISOTHIURONIUM DIBROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pseudourea, 2,2'-trimethylenedithiodi-, hydrobromide

There total 2 articles about Pseudourea, 2,2'-trimethylenedithiodi-, hydrobromide 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:

thiourea (17356-08-0) + 1,3-dibromo-propane (109-64-8) → propane‐1,3‐diyl dicarbamimidothioate dihydrobromide (5442-32-0,64039-23-2)

Guidance literature:

With ethanol;

Reference yield:

2-(3-Bromo-propyl)-isothiourea; hydrobromide (86768-93-6) + thiourea (17356-08-0) → hydrobromide of 1-amino-5,6-dihydro-4H-1,3-thiazine (2799-75-9) + propane‐1,3‐diyl dicarbamimidothioate dihydrobromide (5442-32-0,64039-23-2)

Guidance literature:

In ethanol; at 70 ℃; Rate constant; sealed capillaries;

Reference yield: 79.0%

3-nitrobenzylidenemalononitrile (2826-32-6) + propane‐1,3‐diyl dicarbamimidothioate dihydrobromide (5442-32-0,64039-23-2) → 2,2′‐(propane‐1,3‐diylbis(sulfanediyl))bis(4‐amino‐6‐(3‐nitrophenyl)‐pyrimidine‐5‐carbonitrile)

Guidance literature:

With potassium carbonate; In isopropyl alcohol; Reflux;

DOI:10.1002/ardp.201900027

upstream raw materials:

thiourea

1,3-dibromo-propane

2-(3-Bromo-propyl)-isothiourea; hydrobromide

Downstream raw materials:

2,6,15,19-tetrathia<7,7'>paracyclophane

2,6-dithia<7>paracyclophane

8,11-dioxa-1,5-dithiacyclotridecane

1,3-propanedisulfonyl dichloride