5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol

Base Information

Chemical Name:5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
CAS No.:114058-91-2
Molecular Formula:C8H6 F N3 S
Molecular Weight:195.22
Hs Code.:
DSSTox Substance ID:DTXSID30150643
Nikkaji Number:J970.225C
Wikidata:Q83016801
ChEMBL ID:CHEMBL279919
Mol file:114058-91-2.mol

Synonyms:5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol;114058-91-2;BRN 6647633;5-(4-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-fluorophenyl)-;C8H6FN3S;2,4-Dihydro-5-(4-fluorophenyl)-3H-1,2,4-triazole-3-thione;3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thiol;MFCD02952174;CHEMBL279919;SCHEMBL4186249;SCHEMBL17541733;SCHEMBL20528631;DTXSID30150643;C8-H6-F-N3-S;STK801575;AKOS000267021;AKOS003152026;AKOS016051907;LS-03972;LS-156209;CS-0321303;FT-0683623;3-(4-Fluorophenyl)-4H-1,2,4-triazole-5-thiol;3-(4-fluorophenyl)-1,4-dihydro-1,2,4-triazole-5-thione;5-(4-fluorophenyl)-2,4-dihydro-1,2,4-triazole-3-thione

Suppliers and Price of 5-(4-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
5-(4-Fluorophenyl)-4H-1,2,4-triazole-3-thiol
100mg
$ 90.00

SynQuest Laboratories
5-(4-Fluorophenyl)-4H-1,2,4-triazole-3-thiol
1 g
$ 295.00

SynQuest Laboratories
5-(4-Fluorophenyl)-4H-1,2,4-triazole-3-thiol
250 mg
$ 155.00

Matrix Scientific
5-(4-Fluorophenyl)-4H-1,2,4-triazole-3-thiol
500mg
$ 119.00

Heterocyclics
5-(4-Fluorophenyl)-4H-1,2,4-triazole-3-thiol 97%
25g
$ 550.00

Crysdot
5-(4-Fluorophenyl)-4H-1,2,4-triazole-3-thiol 95+%
5g
$ 422.00

ChemBridge Corporation
5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol 95%
1 g
$ 46.00

American Custom Chemicals Corporation
5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
5G
$ 1016.40

American Custom Chemicals Corporation
5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
1G
$ 664.13

American Custom Chemicals Corporation
5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
0.5G
$ 616.00

Total 10 raw suppliers

Chemical Property of 5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

Vapor Pressure:0.0104mmHg at 25°C
Boiling Point:263.2°Cat760mmHg
Flash Point:113°C
PSA：76.56000
Density:1.5g/cm³
LogP:2.27340
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:195.02664654
Heavy Atom Count:13
Complexity:246

Purity/Quality:

97% ^*data from raw suppliers

5-(4-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(=CC=C1C2=NC(=S)NN2)F

Technology Process of 5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol

There total 13 articles about 5-(4-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: 90.0%

: 831-38-9
2-(4-fluorobenzoyl)hydrazinecarbothioamide

: 114058-91-2
5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: With sodium hydroxide; In methanol; Reflux;
DOI:10.2174/157018012799129882

Reference yield: 55.0%

: 831-38-9
2-(4-fluorobenzoyl)hydrazinecarbothioamide

: 114058-91-2
3-(4-Fluoro)phenyl-5-mercapto-1,2,4-triazole

Guidance literature:: With sodium hydroxide; for 3h; Heating;

Reference yield:

: 403-43-0
4-fluorobenzoyl chloride

: 114058-91-2
5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / H₂O / 0.33 h / Ambient temperature

2: 65.6 percent / hydrazine hydrate / methanol / 0.5 h / Heating

3: 25 percent / pyridine / Ambient temperature

4: 71 percent / NaOH / H₂O / 4 h / Heating

With pyridine; sodium hydroxide; hydrazine hydrate; In methanol; water;