[1,2,4]Triazolo[4,3-b]pyridazine-6-thiol

Base Information

• Chemical Name: [1,2,4]Triazolo[4,3-b]pyridazine-6-thiol
• CAS No.: 58826-44-1
• Molecular Formula: C5H4N4S
• Molecular Weight: 152.17700
• DSSTox Substance ID: DTXSID40359009
• Wikidata: Q82139979

Synonyms:58826-44-1;[1,2,4]triazolo[4,3-b]pyridazine-6-thiol;5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione;STK741258;SCHEMBL10764435;DTXSID40359009;TUVINVFBKZSHGH-UHFFFAOYSA-N;AKOS000265208;6-Mercapto-s-triazolo[4,3-b]pyridazin;6-Mercapto-1,2,4-triazolo[4,3-b]pyridazine;[1,2,4]Triazolo[4,3-b]pyridazine-6(5H)-thione

Chemical Property of [1,2,4]Triazolo[4,3-b]pyridazine-6-thiol

Chemical Property:

• PSA: 81.88000
• LogP: 0.41300
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.01566732
• Heavy Atom Count: 10
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE-6-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NN=CN2NC1=S

Technology Process of [1,2,4]Triazolo[4,3-b]pyridazine-6-thiol

There total 2 articles about [1,2,4]Triazolo[4,3-b]pyridazine-6-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:

6-chloro[1,2,4]triazolo[4,3-b]pyridazine (28593-24-0) → 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione (58826-44-1)

Guidance literature:

With methanol; potassium hydrosulfide;

Reference yield:

formic acid-[N'-(6-chloro-pyridazin-3-yl)-hydrazide] (856847-73-9) → 5H-[1,2,4]triazolo[4,3-b]pyridazine-6-thione (58826-44-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous formic acid

2: KHS; methanol

With methanol; formic acid; potassium hydrosulfide;

Reference yield:

benzhydryl 7-[2-t-butoxycarbonylmethoxyimino-2-(4-thiazolyl)acetamido]-3-chloromethyl-3-cephem-4-carboxylate + s-triazolo<4,3-b>pyridazine-6(5H)-thione (58826-44-1) → benzhydryl 7-[2-t-butoxycarbonylmethoxyimino-2-(4-thiazolyl)acetamido]-3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)thiomethyl-3-cephem-4-carboxylate

Guidance literature:

With sodium iodide; sodium chloride; sodium carbonate; In water; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

6-chloro[1,2,4]triazolo[4,3-b]pyridazine

formic acid-[N'-(6-chloro-pyridazin-3-yl)-hydrazide]

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