4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol

Base Information

Chemical Name:4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
CAS No.:23714-52-5
Molecular Formula:C13H16 N4 S
Molecular Weight:260.3579
Hs Code.:
NSC Number:305343
DSSTox Substance ID:DTXSID50357591
Mol file:23714-52-5.mol

Synonyms:23714-52-5;4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol;4-cyclohexyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol;4-cyclohexyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione;4-cyclohexyl-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione;NSC305343;Oprea1_250499;Oprea1_565049;DTXSID50357591;STK397847;STL070025;AKOS000269088;NSC 305343;NSC-305343;CS-0222311;EN300-110818;A912730;SR-01000319929;SR-01000319929-1;4-cyclohexyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl hydrosulfide;4-cyclohexyl-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Suppliers and Price of 4-Cyclohexyl-5-pyridin-4-yl-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

Matrix Scientific
4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
1g
$ 378.00

Crysdot
4-Cyclohexyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol 97%
5g
$ 452.00

American Custom Chemicals Corporation
4-CYCLOHEXYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL 95.00%
500MG
$ 772.70

AK Scientific
4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
10g
$ 1739.00

AK Scientific
4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol
100mg
$ 224.00

Total 8 raw suppliers

Chemical Property of 4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol

Chemical Property:

Vapor Pressure:4.05E-06mmHg at 25°C
Melting Point:314-316 °C(Solv: N,N-dimethylformamide (68-12-2); ethanol (64-17-5))
Boiling Point:384.6°Cat760mmHg
PKA:7.65±0.20(Predicted)
Flash Point:186.4°C
PSA：82.40000
Density:1.37g/cm³
LogP:3.13400
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:260.10956770
Heavy Atom Count:18
Complexity:343

Purity/Quality:

97% ^*data from raw suppliers

4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(CC1)N2C(=NNC2=S)C3=CC=NC=C3

Technology Process of 4-Cyclohexyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol

There total 6 articles about 4-Cyclohexyl-5-pyridin-4-yl-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:

: 54-85-3,7640-37-1
isoniazid

: 1122-82-3
isothiocyanatocyclohexane

: 23714-52-5
4-cyclohexyl-5-pyridin-4-yl-2,4-dihydro-[1,2,4]triazole-3-thione

Guidance literature:: isoniazid; isothiocyanatocyclohexane; at 150 ℃; for 0.25h; Microwave irradiation;

With potassium carbonate; In water; for 16h; Reflux;
DOI:10.1016/j.bmcl.2014.04.081

Reference yield:

: 26036-36-2
1-isonicotinoyl-4-cyclohexylthiosemicarbazide

: 23714-52-5
4-cyclohexyl-5-pyridin-4-yl-2,4-dihydro-[1,2,4]triazole-3-thione

Guidance literature:: With potassium carbonate; In water; for 16h; Reflux;
DOI:10.1016/j.bmcl.2014.04.081

Reference yield:

: 54-85-3,7640-37-1
isoniazid

: 23714-52-5
4-cyclohexyl-5-pyridin-4-yl-2,4-dihydro-[1,2,4]triazole-3-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 0.25 h / 150 °C / Microwave irradiation

2: potassium carbonate / water / 16 h / Reflux

With potassium carbonate; In water;
DOI:10.1016/j.bmcl.2014.04.081