4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

Base Information

Chemical Name:4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
CAS No.:52747-56-5
Molecular Formula:C8H6FN3S
Molecular Weight:195.22
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10397554
Wikidata:Q82199006
ChEMBL ID:CHEMBL1369081
Mol file:52747-56-5.mol

Synonyms:4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol;52747-56-5;4-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione;HMS2665K15;MLS000771966;CHEMBL1369081;SCHEMBL11537975;DTXSID10397554;JKTQSJLNEDZVAK-UHFFFAOYSA-N;MFCD06655163;AKOS005198963;SMR000376555;CS-0231421;4-(2-fluorophenyl)-1,2,4-triazole-3-thiol;EN300-10830;A914406;4-(2-fluorophenyl)-4H-[1,2,4]triazole-3-thiol;Z90662202

Suppliers and Price of 4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
10mg
$ 45.00

Crysdot
4-(2-Fluorophenyl)-4H-1,2,4-triazole-3-thiol 97%
1g
$ 564.00

American Custom Chemicals Corporation
4-(2-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
2.5G
$ 1473.14

American Custom Chemicals Corporation
4-(2-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
1G
$ 983.52

American Custom Chemicals Corporation
4-(2-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
5G
$ 1928.08

AK Scientific
4-(2-Fluorophenyl)-4H-1,2,4-triazole-3-thiol
5g
$ 1829.00

AK Scientific
4-(2-Fluorophenyl)-4H-1,2,4-triazole-3-thiol
500mg
$ 546.00

Total 6 raw suppliers

Chemical Property of 4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

Vapor Pressure:0.0149mmHg at 25°C
Boiling Point:257°Cat760mmHg
Flash Point:109.2°C
PSA：69.51000
Density:1.43g/cm³
LogP:1.69510
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.02664654
Heavy Atom Count:13
Complexity:244

Purity/Quality:

97% ^*data from raw suppliers

4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)N2C=NNC2=S)F

Technology Process of 4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

There total 4 articles about 4-(2-fluorophenyl)-4H-1,2,4-triazole-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: 79.0%

: 52747-71-4
4-(2-fluorophenyl)-1-formylthiosemicarbazide

: 52747-56-5
4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: With sodium hydroxide; Reflux;
DOI:10.1080/10426507.2014.902831

Reference yield:

: 38985-64-7
o-fluorophenyl isothiocyanate

: 52747-56-5
4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / Reflux

2: sodium hydroxide / Reflux

With sodium hydroxide; In ethanol;
DOI:10.1080/10426507.2014.902831