3-(1-Adamantyl)-4-benzyl-5-mercapto-1,2,4-triazole

Base Information

Chemical Name:3-(1-Adamantyl)-4-benzyl-5-mercapto-1,2,4-triazole
CAS No.:139158-26-2
Molecular Formula:C19H23 N3 S
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID90160945
Nikkaji Number:J467.318B
Mol file:139158-26-2.mol

Synonyms:139158-26-2;BRN 4882005;3-(1-Adamantyl)-4-benzyl-5-mercapto-1,2,4-triazole;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(phenylmethyl)-5-tricyclo(3.3.1.1(sup 3,7))dec-yl-;3-(1-adamantyl)-4-benzyl-1H-1,2,4-triazole-5-thione;5-(1-adamantyl)-4-benzyl-2H-1,2,4-triazole-3-thione;2,4-Dihydro-4-(phenylmethyl)-5-tricyclo(3.3.1.1(sup 3,7))dec-yl-3H-1,2,4-triazole-3-thione;Oprea1_240552;DTXSID90160945;LS-156236;5-(1-Adamantyl)-4-benzyl-4H-1,2,4-triazole-3-thiol;3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione

Suppliers and Price of 3-(1-Adamantyl)-4-benzyl-5-mercapto-1,2,4-triazole

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
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price

Total 1 raw suppliers

Chemical Property of 3-(1-Adamantyl)-4-benzyl-5-mercapto-1,2,4-triazole

Chemical Property:

Vapor Pressure:3.69E-08mmHg at 25°C
Boiling Point:446.3°Cat760mmHg
Flash Point:223.7°C
PSA：69.51000
Density:1.41g/cm³
LogP:4.08290
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:325.16126892
Heavy Atom Count:23
Complexity:493

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4CC5=CC=CC=C5

Technology Process of 3-(1-Adamantyl)-4-benzyl-5-mercapto-1,2,4-triazole

There total 3 articles about 3-(1-Adamantyl)-4-benzyl-5-mercapto-1,2,4-triazole 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%

: 139158-45-5
1-(1-adamantylcarbonyl)-4-benzylthiosemicarbazide

: 139158-26-2
5-Adamantan-1-yl-4-benzyl-4H-[1,2,4]triazole-3-thiol

Guidance literature:: With sodium hydroxide; In water; for 1h; Heating;

Reference yield:

: 17846-15-0
adamantane-1-carbohydrazide

: 139158-26-2
5-Adamantan-1-yl-4-benzyl-4H-[1,2,4]triazole-3-thiol

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 1 h / Heating

2: 90 percent / NaOH / H₂O / 1 h / Heating

With sodium hydroxide; In ethanol; water;

Reference yield:

: 622-78-6
Benzyl isothiocyanate

: 139158-26-2
5-Adamantan-1-yl-4-benzyl-4H-[1,2,4]triazole-3-thiol

Guidance literature:: Multi-step reaction with 2 steps

1: ethanol / 1 h / Heating

2: 90 percent / NaOH / H₂O / 1 h / Heating

With sodium hydroxide; In ethanol; water;