N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine

Base Information

• Chemical Name: N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine
• CAS No.: 1544-80-5
• Molecular Formula: C₇H₅FN₄S
• Molecular Weight: 196.208
• DSSTox Substance ID: DTXSID201327158
• ChEMBL ID: CHEMBL1499368
• Mol file: 1544-80-5.mol

Synonyms:N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine;1544-80-5;N-(4-fluorophenyl)thiatriazol-5-amine;Maybridge3_001620;MLS000332332;CHEMBL1499368;DTXSID201327158;HMS1435J14;HMS2797A08;CCG-25394;STK795114;AKOS000347955;IDI1_013007;SMR000434949;A1-03723;(4-Fluoro-phenyl)-[1,2,3,4]thiatriazol-5-yl-amine;N-(4-FLUOROPHENYL)-N-(1,2,3,4-THIATRIAZOL-5-YL)AMINE

Chemical Property of N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 196.02189551
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=NN=NS2)F

Technology Process of N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine

There total 2 articles about N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine 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:

4-fluorophenyl isothiocyanate (1544-68-9) → (4-fluoro-phenyl)-[1,2,3,4]thiatriazol-5-yl-amine (1544-80-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄+H₂O

2: aqueous HCl; NaNO₂

With hydrogenchloride; hydrazine hydrate; sodium nitrite;

DOI:10.1139/v59-015

Reference yield:

→ (4-fluoro-phenyl)-[1,2,3,4]thiatriazol-5-yl-amine (1544-80-5)

Guidance literature:

With hydrogenchloride; In water; at -10 ℃; for 0.333333h;

With sodium nitrite; In water; for 1h;

Reference yield: 76.0%

(4-fluoro-phenyl)-[1,2,3,4]thiatriazol-5-yl-amine (1544-80-5) + p-tolylcyanate (1124-58-9) → 1-(4-Fluoro-phenyl)-2-p-tolyl-1-(3-p-tolyloxy-[1,2,4]thiadiazol-5-yl)-isourea (94295-65-5)

Guidance literature:

In acetone; Ambient temperature;

DOI:10.1021/jo00208a028

upstream raw materials:

4-fluorophenyl isothiocyanate

Downstream raw materials:

1-(4-Fluoro-phenyl)-2-p-tolyl-1-(3-p-tolyloxy-[1,2,4]thiadiazol-5-yl)-isourea

1-(4-Fluoro-phenyl)-1-[3-(4-methoxy-phenoxy)-[1,2,4]thiadiazol-5-yl]-2-(4-methoxy-phenyl)-isourea

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