3-Benzyl-2,7-dihydro[1,2,3]triazolo[4,5-d][1,3]thiazine-5(3H)-thione

Base Information

• Chemical Name: 3-Benzyl-2,7-dihydro[1,2,3]triazolo[4,5-d][1,3]thiazine-5(3H)-thione
• CAS No.: 73286-56-3
• Molecular Formula: C11H10N4S2
• Molecular Weight: 262.3539
• DSSTox Substance ID: DTXSID70423267
• NSC Number: 336373
• Wikidata: Q82235438

Synonyms:73286-56-3;NSC336373;DTXSID70423267;3-Benzyl-2,7-dihydro[1,2,3]triazolo[4,5-d][1,3]thiazine-5(3H)-thione;NSC-336373;1,3-Triazolo[4,5-d][1,3]thiazine-5(3H)-thione, 4,7-dihydro-3-(phenylmethyl)-

Chemical Property of 3-Benzyl-2,7-dihydro[1,2,3]triazolo[4,5-d][1,3]thiazine-5(3H)-thione

Chemical Property:

• Vapor Pressure: 1.9E-06mmHg at 25°C
• Boiling Point: 395°Cat760mmHg
• Flash Point: 192.7°C
• Density: 1.52g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 262.03468868
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(NC(=S)S1)N(N=N2)CC3=CC=CC=C3

Technology Process of 3-Benzyl-2,7-dihydro[1,2,3]triazolo[4,5-d][1,3]thiazine-5(3H)-thione

There total 2 articles about 3-Benzyl-2,7-dihydro[1,2,3]triazolo[4,5-d][1,3]thiazine-5(3H)-thione 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: 63.0%

carbon disulfide (75-15-0,12122-00-8) + 5-aminomethyl-3-benzyl-3H-[1,2,3]triazol-4-ylamine (28539-33-5) → 3-benzyl-3,7-dihydro-1,2,3-triazolo<4,5-d><1,3>thiazine-5(4H)-thione (73286-56-3)

Guidance literature:

With triethylamine; In pyridine; for 6h; Heating;

Reference yield: 60.0%

carbon disulfide (75-15-0,12122-00-8) + 5-aminomethyl-3-benzyl-3H-[1,2,3]triazol-4-ylamine (28539-33-5) → 3-benzyl-3,7-dihydro-1,2,3-triazolo<4,5-d><1,3>thiazine-5(4H)-thione (73286-56-3) + bis-(4-amino-3-benzyl-3H-1,2,3-triazol-5-ylmethyl) sulphide (73286-58-5)

Guidance literature:

With triethylamine; In pyridine; at 115 ℃; for 6h;

Reference yield: 91.0%

3-benzyl-3,7-dihydro-1,2,3-triazolo<4,5-d><1,3>thiazine-5(4H)-thione (73286-56-3) + methyl iodide (74-88-4) → 3-benzyl-5-methylthio-3,7-dihydro-1,2,3-triazolo<4,5-d><1,3>thiazine (73286-25-6)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 0.25h;

upstream raw materials:

carbon disulfide

5-aminomethyl-3-benzyl-3H-[1,2,3]triazol-4-ylamine

Downstream raw materials:

3-benzyl-5-methylthio-3,7-dihydro-1,2,3-triazolo<4,5-d><1,3>thiazine

5-amino-3-benzyl-3,7-dihydro-1,2,3-triazolo<4,5-d><1,3>thiazine

3-benzyl-5-hydrazino-3,7-dihydro-1,2,3-triazolo<4,5-d><1,3>thiazine

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