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

Base Information

Chemical Name:4-allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
CAS No.:590353-10-9
Molecular Formula:C13H21N3S
Molecular Weight:251.396
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40364158
Wikidata:Q82147951
ChEMBL ID:CHEMBL1927991
Mol file:590353-10-9.mol

Synonyms:4-allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol;590353-10-9;3-(2-cyclohexylethyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione;5-(2-cyclohexylethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol;CHEMBL1927991;DTXSID40364158;ART-CHEM-BB B018041;BBL017008;MFCD03945673;STK438848;AKOS003331801;VS-05768;CS-0322854;4-allyl-3-(2-cyclohexylethyl)-1H-1,2,4-triazole-5-thione

Suppliers and Price of 4-allyl-5-(2-cyclohexylethyl)-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-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
500mg
$ 200.00

Matrix Scientific
4-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
500mg
$ 95.00

Crysdot
4-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol 95+%
5g
$ 297.00

ChemBridge Corporation
4-allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol 95%
1 g
$ 98.00

Biosynth Carbosynth
4-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
1 g
$ 128.00

Biosynth Carbosynth
4-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
500 mg
$ 75.00

Biosynth Carbosynth
4-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
2 g
$ 218.00

Biosynth Carbosynth
4-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
5 g
$ 436.00

Biosynth Carbosynth
4-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
10 g
$ 741.00

AK Scientific
4-Allyl-5-(2-cyclohexylethyl)-4H-1,2,4-triazole-3-thiol
5g
$ 638.00

Total 7 raw suppliers

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

Chemical Property:

Vapor Pressure:0.000118mmHg at 25°C
Refractive Index:1.617
Boiling Point:335.6°C at 760 mmHg
PKA:9.22±0.20(Predicted)
Flash Point:156.8°C
PSA：69.51000
Density:1.18g/cm³
LogP:3.26570
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:251.14561886
Heavy Atom Count:17
Complexity:319

Purity/Quality:

98%min ^*data from raw suppliers

4-Allyl-5-(2-cyclohexylethyl)-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:C=CCN1C(=NNC1=S)CCC2CCCCC2

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

There total 4 articles about 4-allyl-5-(2-cyclohexylethyl)-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: 98.0%

: 590353-08-5
N-allyl-2-(3-cyclohexylpropanoyl)hydrazinecarbothioamide

: 590353-10-9
4-allyl-3-(2-cyclohexylethyl)-1H-1,2,4-triazole-5(4H)-thione

Guidance literature:: With sodium hydroxide; In water; for 2h; Reflux;
DOI:10.1016/j.bmc.2011.11.020

Reference yield:

: 701-97-3
cyclohexanepropionic acid

: 590353-10-9
4-allyl-3-(2-cyclohexylethyl)-1H-1,2,4-triazole-5(4H)-thione

Guidance literature:: Multi-step reaction with 4 steps

1: thionyl chloride / 3 h / Reflux

2: hydrazine hydrate / methanol; water / 3 h / Reflux

3: methanol / Reflux

4: sodium hydroxide / water / 2 h / Reflux

With thionyl chloride; hydrazine hydrate; sodium hydroxide; In methanol; water;
DOI:10.1016/j.bmc.2011.11.020

Reference yield:

: 20681-51-0
methyl 3-cyclohexylpropionate

: 590353-10-9
4-allyl-3-(2-cyclohexylethyl)-1H-1,2,4-triazole-5(4H)-thione

Guidance literature:: Multi-step reaction with 3 steps

1: hydrazine hydrate / methanol; water / 3 h / Reflux

2: methanol / Reflux

3: sodium hydroxide / water / 2 h / Reflux

With hydrazine hydrate; sodium hydroxide; In methanol; water;
DOI:10.1016/j.bmc.2011.11.020