Phenanthro[9,10-e][1,2,4]triazine-3-thiol

Base Information

• Chemical Name: Phenanthro[9,10-e][1,2,4]triazine-3-thiol
• CAS No.: 59851-26-2
• Molecular Formula: C₁₅H₉N₃S
• Molecular Weight: 263.323
• DSSTox Substance ID: DTXSID30975257
• Mol file: 59851-26-2.mol

Synonyms:phenanthro[9,10-e][1,2,4]triazine-3-thiol;59851-26-2;2H-phenanthro[9,10-e][1,2,4]triazine-3-thione;3-Mercaptophenanthreno(9,10-e)-1,2,4-triazine;Phenanthro(9,10-e)-1,2,4-triazine-3(2H)-thione;DTXSID30975257;STK501699;AKOS005214401

Chemical Property of Phenanthro[9,10-e][1,2,4]triazine-3-thiol

Chemical Property:

• Vapor Pressure: 9.71E-09mmHg at 25°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 263.05171847
• Heavy Atom Count: 19
• Complexity: 468

Purity/Quality:

98%min ^*data from raw suppliers

Phenanthro[9,10-e][1,2,4]triazine-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=NNC(=S)N=C24

Technology Process of Phenanthro[9,10-e][1,2,4]triazine-3-thiol

There total 4 articles about Phenanthro[9,10-e][1,2,4]triazine-3-thiol 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: 86.0%

thiosemicarbazide hydrochloride (4346-94-5) + 9,10-phenanthrenequinone (84-11-7) → phenanthro[9,10-e][1,2,4]triazine-3(2H)-thione (59851-26-2)

Guidance literature:

In ethanol; water; for 6h; Reflux;

DOI:10.1016/S1872-2067(15)60829-4

Reference yield:

→ phenanthro[9,10-e][1,2,4]triazine-3(2H)-thione (59851-26-2)

Guidance literature:

With acetic acid;

Reference yield:

phenanthrene-9,10-dione oxime (14140-04-6) + thiosemicarbazide (79-19-6) → phenanthro[9,10-e][1,2,4]triazine-3(2H)-thione (59851-26-2)

Guidance literature:

und anschliessend mit Essigsaeure;

upstream raw materials:

phenanthrene-9,10-dione oxime

thiosemicarbazide

thiosemicarbazide hydrochloride

9,10-phenanthrenequinone

Downstream raw materials:

3-Carboxymethylcapto-phenanthreno<9,10-e>-1,2,4-triazine

3-(p)Bromobenzoyl-methylmercapto-phenanthreno<9,10-e>-1,2,4-triazine

3-Butylmercapto-phenanthreno<9,10-e>-1,2,4-triazine

benzaldehyde phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazone

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