4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

Base Information Edit

Chemical Name:4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No.:36209-51-5
Molecular Formula:C7H7 N5 S
Molecular Weight:193.232
Hs Code.:2933990090
European Community (EC) Number:623-002-9
DSSTox Substance ID:DTXSID80352135
Nikkaji Number:J1.174.071E
Wikidata:Q82129128
ChEMBL ID:CHEMBL571510
Mol file:36209-51-5.mol

Synonyms:4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

Suppliers and Price of 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

Supply Marketing:Edit

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-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
10mg
$ 45.00

Sigma-Aldrich
4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol 97%
1g
$ 42.30

Heterocyclics
4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol 97%
5g
$ 89.00

Heterocyclics
4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol 97%
25g
$ 412.00

Crysdot
4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol 95+%
25g
$ 364.00

Crysdot
4-Amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol 95+%
100g
$ 1338.00

Biosynth Carbosynth
4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol
50 g
$ 1012.00

Biosynth Carbosynth
4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol
25 g
$ 632.50

Biosynth Carbosynth
4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol
5 g
$ 172.10

Biosynth Carbosynth
4-Amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol
2 g
$ 60.00

Total 37 raw suppliers

Chemical Property of 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol Edit

Chemical Property:

Vapor Pressure:9.55E-05mmHg at 25°C
Melting Point:250-254 °C(lit.)
Refractive Index:1.829
Boiling Point:338.9°C at 760 mmHg
PKA:7.49±0.20(Predicted)
Flash Point:158.7°C
PSA：108.42000
Density:1.62g/cm³
LogP:0.92380
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:193.04221642
Heavy Atom Count:13
Complexity:245

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CN=CC=C1C2=NNC(=S)N2N

Technology Process of 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

There total 23 articles about 4-amino-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: 96.0%

: 55-22-1
pyridine-4-carboxylic acid

: 2231-57-4
Thiocarbohydrazide

: 36209-51-5
4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: Heating;
DOI:10.1080/10426500802470769

Reference yield: 80.0%

: 75-15-0,12122-00-8
carbon disulfide

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

: 36209-51-5
4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

Guidance literature:: isoniazid; With potassium hydroxide; In methanol; at 0 - 5 ℃;

carbon disulfide; In methanol; at 0 - 20 ℃;

With hydrazine hydrate; In water; Reflux;
DOI:10.1016/j.ejmech.2014.08.047