4-Isopropyl-5-pyridin-4-YL-4H-1,2,4-triazole-3-thiol

Base Information

Chemical Name:4-Isopropyl-5-pyridin-4-YL-4H-1,2,4-triazole-3-thiol
CAS No.:90871-43-5
Molecular Formula:C₁₀H₁₂N₄S
Molecular Weight:220.298
Hs Code.:
DSSTox Substance ID:DTXSID80359563
Wikidata:Q82140822
ChEMBL ID:CHEMBL1456574

Synonyms:90871-43-5;4-Isopropyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol;4-ISOPROPYL-5-PYRIDIN-4-YL-4H-1,2,4-TRIAZOLE-3-THIOL;4-propan-2-yl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione;CHEMBRDG-BB 4012405;4-(propan-2-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol;HMS1594C15;MLS000621313;CHEMBL1456574;DTXSID80359563;HMS2699E14;MFCD08691558;STK946049;AKOS004111937;AKOS024347395;AT31259;SDCCGMLS-0065294.P001;BS-38598;SMR000294332;CS-0205412;EN300-782071;SR-01000277864;SR-01000277864-1;4-Isopropyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol;4-isopropyl-5-(4-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;4-(Propan-2-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Suppliers and Price of 4-Isopropyl-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

TRC
4-isopropyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
1g
$ 110.00

TRC
4-isopropyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
500mg
$ 65.00

TRC
4-isopropyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
100mg
$ 45.00

ChemBridge Corporation
4-isopropyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol 95%
5 g
$ 133.00

ChemBridge Corporation
4-isopropyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol 95%
1 g
$ 46.00

American Custom Chemicals Corporation
4-ISOPROPYL-5-PYRIDIN-4-YL-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
10G
$ 1363.13

American Custom Chemicals Corporation
4-ISOPROPYL-5-PYRIDIN-4-YL-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
5G
$ 949.59

American Custom Chemicals Corporation
4-ISOPROPYL-5-PYRIDIN-4-YL-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
1G
$ 662.16

Total 5 raw suppliers

Chemical Property of 4-Isopropyl-5-pyridin-4-YL-4H-1,2,4-triazole-3-thiol

Chemical Property:

Vapor Pressure:0.000396mmHg at 25°C
Boiling Point:317.0±34.0 °C(Predicted)
PKA:7.61±0.20(Predicted)
Density:1.30±0.1 g/cm3(Predicted)
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:220.07826757
Heavy Atom Count:15
Complexity:281

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)N1C(=NNC1=S)C2=CC=NC=C2

Technology Process of 4-Isopropyl-5-pyridin-4-YL-4H-1,2,4-triazole-3-thiol

There total 4 articles about 4-Isopropyl-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

: 2253-73-8
isopropyl isothiocyanate

: 90871-43-5
C₁₀H₁₂N₄S

Guidance literature:: isoniazid; isopropyl isothiocyanate; 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:

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

: 90871-43-5
C₁₀H₁₂N₄S

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