1-(3-fluorophenyl)-1H-tetrazole-5-thiol

Base Information

• Chemical Name: 1-(3-fluorophenyl)-1H-tetrazole-5-thiol
• CAS No.: 14210-42-5
• Molecular Formula: C7H5 F N4 S
• Molecular Weight: 196.208
• DSSTox Substance ID: DTXSID80406985
• Wikidata: Q82212171
• Mol file: 14210-42-5.mol

Synonyms:1-(3-fluorophenyl)-1H-tetrazole-5-thiol;14210-42-5;1-(3-fluorophenyl)-2H-tetrazole-5-thione;MFCD06655375;5H-Tetrazole-5-thione, 1-(3-fluorophenyl)-1,2-dihydro-;1-(3-fluorophenyl)-1H-1,2,3,4-tetrazole-5-thiol;SCHEMBL1493427;DTXSID80406985;LJTAYQURXWOBHW-UHFFFAOYSA-N;AKOS008987523;SY151736;1-(3-Fluoro-phenyl)-1H-tetrazole-5-thiol;EN300-12608;Z85922607

Chemical Property of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol

Chemical Property:

• Vapor Pressure: 0.0152mmHg at 25°C
• Boiling Point: 256.7°Cat760mmHg
• Flash Point: 109°C
• Density: 1.57g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 196.02189551
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

1-(3-FLUOROPHENYL)-1H-TETRAZOLE-5-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)N2C(=S)N=NN2

Technology Process of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol

There total 1 articles about 1-(3-fluorophenyl)-1H-tetrazole-5-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:

→ 1-(3-fluoro-phenyl)-1,4-dihydro-tetrazole-5-thione (14210-42-5)

Guidance literature:

Tetrazol;

DOI:10.1021/jo01286a064

Reference yield: 74.0%

1-(3-fluoro-phenyl)-1,4-dihydro-tetrazole-5-thione (14210-42-5) → 5-[(3,5-dinitrobenzyl)sulfanyl]-1-(3-fluorophenyl)-1H-tetrazole (1618101-03-3)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In dichloromethane; water; at 20 ℃; for 5h;

DOI:10.1016/j.ejmech.2014.05.069

Reference yield:

1-(3-fluoro-phenyl)-1,4-dihydro-tetrazole-5-thione (14210-42-5) + 2-bromo-N-[2-(4-methoxy-benzyl)-2H-pyrazol-3-yl]-acetamide (1200440-06-7) → 2-[1-(3-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[2-(4-methoxy-benzyl)-2H-pyrazol-3-yl]-acetamide (1200439-17-3)

Guidance literature:

With pyridine; In N,N-dimethyl-formamide; at 20 ℃;

Downstream raw materials:

2-[1-(3-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[2-(4-methoxy-benzyl)-2H-pyrazol-3-yl]-acetamide

5-[(3,5-dinitrobenzyl)sulfanyl]-1-(3-fluorophenyl)-1H-tetrazole

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