1-(1-adamantyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea

Base Information

Chemical Name:1-(1-adamantyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea
CAS No.:127142-19-2
Molecular Formula:C₁₉H₂₆N₆S₂
Molecular Weight:402.588
Hs Code.:
ChEMBL ID:CHEMBL74153
Mol file:127142-19-2.mol

Synonyms:127142-19-2;Carbonothioic dihydrazide, N''-((1E)-1-(2-pyridinyl)ethylidene)-N'''-(thioxo(tricyclo(3.3.1.13,7)dec-1-ylamino)methyl)-;Carbonothioic dihydrazide, N''-[(1E)-1-(2-pyridinyl)ethylidene]-N'''-[thioxo(tricyclo[3.3.1.13,7]dec-1-ylamino)methyl]-;CHEMBL74153;1-(1-adamantyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea

Suppliers and Price of 1-(1-adamantyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea

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

Total 2 raw suppliers

Chemical Property of 1-(1-adamantyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:535.9°Cat760mmHg
Flash Point:277.9°C
Density:1.46g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:402.16603720
Heavy Atom Count:27
Complexity:578

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=NNC(=S)NNC(=S)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=N4
Isomeric SMILES:C/C(=N\NC(=S)NNC(=S)NC12CC3CC(C1)CC(C3)C2)/C4=CC=CC=N4

Technology Process of 1-(1-adamantyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea

There total 2 articles about 1-(1-adamantyl)-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea 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: 11.0%

: 4411-26-1
1-adamantylisothiocyanate

: 96699-87-5
methyl 2-pyridyl ketone thiocarbonohydrazone

: 127142-19-2
C₁₉H₂₆N₆S₂

Guidance literature:: In N,N-dimethyl-formamide; for 0.5h; Ambient temperature;
DOI:10.1021/jm00090a022

Reference yield:

: 1122-62-9
2-acetylpyridine

: 127142-19-2
C₁₉H₂₆N₆S₂

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / methanol / Heating

2: 11 percent / dimethylformamide / 0.5 h / Ambient temperature

In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00090a022