Hexane diisothiourea dihydrobromide

Base Information

• Chemical Name: Hexane diisothiourea dihydrobromide
• CAS No.: 63498-29-3
• Molecular Formula: C8H20Br2N4S2
• Molecular Weight: 396.214
• European Community (EC) Number: 264-276-6
• DSSTox Substance ID: DTXSID30982502
• Mol file: 63498-29-3.mol

Synonyms:64058-53-3;Hexane diisothiourea dihydrobromide;EINECS 264-276-6;2,2'-Hexamethylenebisisothiouronium dibromide;Pseudourea, hexanebis(2'-thio-, dihydrobromide;Hexadecane diisothiourea dihydrobromide;Pseudourea, hexadecanebis(2'-thio-, dihydrobromide;DTXSID30982502;NSC 9478;S,S'-HEXAMETHYLENEBIS(ISOTHIURONIUM BROMIDE);Hexane-1,6-diyl dicarbamimidothioate--hydrogen bromide (1/2)

Chemical Property of Hexane diisothiourea dihydrobromide

Chemical Property:

• Boiling Point: 380.1°Cat760mmHg
• Flash Point: 183.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 395.94756
• Heavy Atom Count: 16
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCSC(=N)N)CCSC(=N)N.Br.Br

Technology Process of Hexane diisothiourea dihydrobromide

There total 1 articles about Hexane diisothiourea dihydrobromide 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:

1 ,6-dibromohexane (629-03-8) + thiourea (17356-08-0) → 1,6-bis-carbamimidoylmercapto-hexane; dihydrobromide (63498-29-3)

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1002/ardp.19863191202

Reference yield: 5.0%

1,6-bis-carbamimidoylmercapto-hexane; dihydrobromide (63498-29-3) + 4-chlorobenzonitrile (100-00-5) → di(p-nitrophenyl) disulfide (100-32-3) + bis(4-nitrophenyl)sulfide (1223-31-0) + C18H20N2O4S2 (118542-95-3)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In benzene; for 12h; Heating;

DOI:10.1016/S0040-4020(01)81714-2

upstream raw materials:

1 ,6-dibromohexane

thiourea

Downstream raw materials:

di(p-nitrophenyl) disulfide

bis(4-nitrophenyl)sulfide

C₁₈H₂₀N₂O₄S₂