3-Aminoquinoline-4-thiol

Base Information

• Chemical Name: 3-Aminoquinoline-4-thiol
• CAS No.: 109543-48-8
• Molecular Formula: C9H8N2S
• Molecular Weight: 176.23800
• DSSTox Substance ID: DTXSID20474284
• Nikkaji Number: J479.351J
• Mol file: 109543-48-8.mol

Synonyms:3-aminoquinoline-4-thiol;109543-48-8;3-amino-1H-quinoline-4-thione;3-amino-4-mercapto-quinoline;3-aminoquinoline4-thiol;3-amino-4-quinolinethiol;3-amino-quinoline4-thiol;3-amino-4-quinoline-thiol;3-amino-quinoline-4-thiol;3-amino-quinoline- 4-thiol;AR-527/43363325;SCHEMBL5765252;DTXSID20474284;YJBLTYRYUXKJLE-UHFFFAOYSA-N;AKOS006331048

Chemical Property of 3-Aminoquinoline-4-thiol

Chemical Property:

• Melting Point: 190℃
• PSA: 73.90000
• LogP: 3.06080
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 176.04081944
• Heavy Atom Count: 12
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=S)C(=CN2)N

Technology Process of 3-Aminoquinoline-4-thiol

There total 3 articles about 3-Aminoquinoline-4-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: 83.0%

SKA-56 (143667-61-2) → 3-amino-4-mercapto-quinoline (109543-48-8)

Guidance literature:

With sodium hydroxide; for 6h; Heating;

DOI:10.1055/s-1992-26191

Reference yield:

bis-(3-nitro-[4]quinolyl)-sulfide (874498-68-7) → 3-amino-4-mercapto-quinoline (109543-48-8)

Guidance literature:

With sodium sulfide; ethanol;

DOI:10.1021/ja01194a060

Reference yield:

3-aminoquinoline (580-17-6) → 3-amino-4-mercapto-quinoline (109543-48-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂ / methanol / 0.5 h / Ambient temperature

2: 83 percent / 50percent aq. NaOH / 6 h / Heating

With sodium hydroxide; bromine; In methanol;

DOI:10.1055/s-1992-26191

upstream raw materials:

bis-(3-nitro-[4]quinolyl)-sulfide

SKA-56

3-aminoquinoline

Downstream raw materials:

2H-2-Phenyl<1,4>thiazino<3,2-c>quinolin-3(4H)-one

SKA-56

2-benzyl-thiazolo[4,5-c]quinoline

thiazolo[4,5-c]quinoline-hydrochloride