[1,2,4]Triazino[4,5-a]indole-1(2H)-thione

Base Information

• Chemical Name: [1,2,4]Triazino[4,5-a]indole-1(2H)-thione
• CAS No.: 50336-06-6
• Molecular Formula: C10H7N3S
• Molecular Weight: 201.24800
• DSSTox Substance ID: DTXSID60504791
• Wikidata: Q82359536
• Mol file: 50336-06-6.mol

Synonyms:50336-06-6;[1,2,4]Triazino[4,5-a]indole-1(2H)-thione;2H-[1,2,4]triazino[4,5-a]indole-1-thione;DTXSID60504791

Chemical Property of [1,2,4]Triazino[4,5-a]indole-1(2H)-thione

Chemical Property:

• PSA: 68.99000
• LogP: 2.17120
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 201.03606841
• Heavy Atom Count: 14
• Complexity: 289

Purity/Quality:

[1,2,4]Triazino[4,5-a]indole-1(2H)-thione 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3N2C=NNC3=S

Technology Process of [1,2,4]Triazino[4,5-a]indole-1(2H)-thione

There total 4 articles about [1,2,4]Triazino[4,5-a]indole-1(2H)-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: 90.0%

1,2-dihydro-1-oxo-1,2,4-triazino<4,5-a>indole (37574-73-5) → 1,2-dihydro-1,2,4-triazino<4,5-a>indole-1-thione (50336-06-6)

Guidance literature:

With tetraphosphorus decasulfide; In 1,4-dioxane; for 2.5h; Heating;

DOI:10.1002/jhet.5570170116

Reference yield:

indole-2-carbohydrazide (5055-39-0) → 1,2-dihydro-1,2,4-triazino<4,5-a>indole-1-thione (50336-06-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / 17 h / Heating

2: 70 percent / dimethylformamide / 192 h / Heating

3: 90 percent / P₂S₅ / dioxane / 2.5 h / Heating

With tetraphosphorus decasulfide; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570170116

Reference yield:

1H-indole-2-carboxylic acid N2-formyl-hydrazide (64932-49-6) → 1,2-dihydro-1,2,4-triazino<4,5-a>indole-1-thione (50336-06-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / dimethylformamide / 192 h / Heating

2: 90 percent / P₂S₅ / dioxane / 2.5 h / Heating

With tetraphosphorus decasulfide; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570170116

upstream raw materials:

1,2-dihydro-1-oxo-1,2,4-triazino<4,5-a>indole

indole-2-carbohydrazide

1H-indole-2-carboxylic acid N²-formyl-hydrazide

Downstream raw materials:

1-hydrazino-[1,2,4]triazino[4,5-a]indole

3-Phenyl-1,2,3a,4,5a-pentaaza-cyclopenta[a]fluorene

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