N,N'-Dithiobis(ethylene)bis(2,1,3-benzothia(S(sup IV))diazole-4-methylamine)

Base Information

• Chemical Name: N,N'-Dithiobis(ethylene)bis(2,1,3-benzothia(S(sup IV))diazole-4-methylamine)
• CAS No.: 71605-67-9
• Deprecated CAS: 100333-41-3
• Molecular Formula: C₁₈H₂₀N₆S₄
• Molecular Weight: 448.661
• DSSTox Substance ID: DTXSID00905389
• Mol file: 71605-67-9.mol

Synonyms:BRN 5412225;71605-67-9;N,N'-Dithiobis(ethylene)bis(2,1,3-benzothia(S(sup IV))diazole-4-methylamine);2,1,3-Benzothiadiazole-4-methanamine, N,N'-(dithiodi-2,1-ethanediyl)bis-;DTXSID00905389;C18H20N6S4;2,1,3-Benzothiadiazole-4-methanamine, N,N'-(dithiodi-2,1-ethanediyl)bis- (9CI);1-[1-(2-{[2-(2,1,3-Benzothiadiazol-1(4H)-yl)ethyl]disulfanyl}ethyl)-1,4-dihydro-2,1,3-benzothiadiazol-4-yl]methanamine;100333-41-3

Chemical Property of N,N'-Dithiobis(ethylene)bis(2,1,3-benzothia(S(sup IV))diazole-4-methylamine)

Chemical Property:

• Vapor Pressure: 5.12E-16mmHg at 25°C
• Boiling Point: 634.8°C at 760 mmHg
• Flash Point: 337.7°C
• PSA: 168.74000
• Density: 1.52g/cm³
• LogP: 2.83210
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 423.06798039
• Heavy Atom Count: 26
• Complexity: 725

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC=C2C1=NSN2CCSSCCN3C4=CC=CC(C4=NS3)CN

Technology Process of N,N'-Dithiobis(ethylene)bis(2,1,3-benzothia(S(sup IV))diazole-4-methylamine)

There total 4 articles about N,N'-Dithiobis(ethylene)bis(2,1,3-benzothia(S(sup IV))diazole-4-methylamine) 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:

thiophosphoric acid S-[2-(benzo[1,2,5]thiadiazol-4-ylmethyl-amino)-ethyl] ester (714904-70-8) → 4,4'-(5,6-dithia-2,9-diaza-decane-1,10-diyl)-bis-benzo[1,2,5]thiadiazole (71605-67-9)

Guidance literature:

With iodine; In methanol; water;

DOI:10.1007/BF00778888

Reference yield:

4-(bromomethyl)benzo[c][1,2,5]thiadiazole (16405-99-5) → 4,4'-(5,6-dithia-2,9-diaza-decane-1,10-diyl)-bis-benzo[1,2,5]thiadiazole (71605-67-9)

Guidance literature:

Multi-step reaction with 4 steps

1: Et₃N / benzene

2: HBr / benzene

3: aq. Na₃PO₃S / propan-2-ol

4: I₂ / methanol; H₂O

With hydrogen bromide; iodine; trisodium thiophosphate; triethylamine; In methanol; water; isopropyl alcohol; benzene;

DOI:10.1007/BF00778888

Reference yield:

benzo[1,2,5]thiadiazol-4-ylmethyl-(2-bromo-ethyl)-amine (71605-55-5) → 4,4'-(5,6-dithia-2,9-diaza-decane-1,10-diyl)-bis-benzo[1,2,5]thiadiazole (71605-67-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. Na₃PO₃S / propan-2-ol

2: I₂ / methanol; H₂O

With iodine; trisodium thiophosphate; In methanol; water; isopropyl alcohol;

DOI:10.1007/BF00778888

upstream raw materials:

thiophosphoric acid S-[2-(benzo[1,2,5]thiadiazol-4-ylmethyl-amino)-ethyl] ester

4-(bromomethyl)benzo[c][1,2,5]thiadiazole

benzo[1,2,5]thiadiazol-4-ylmethyl-(2-bromo-ethyl)-amine

4-aziridin-1-ylmethyl-benzo[1,2,5]thiadiazole