2,3,5-Tri(cyclohexa-1,3-dien-1-yl)-1,3,4-thiadiazol-3-ium

Base Information

Chemical Name:2,3,5-Tri(cyclohexa-1,3-dien-1-yl)-1,3,4-thiadiazol-3-ium
CAS No.:13187-62-7
Molecular Formula:C20H21N2S+
Molecular Weight:316.426
Hs Code.:2934999090
DSSTox Substance ID:DTXSID00702799
Wikidata:Q82634802
Mol file:13187-62-7.mol

Synonyms:DTXSID00702799;2,3,5-tri(cyclohexa-1,3-dien-1-yl)-1,3,4-thiadiazol-3-ium

Suppliers and Price of 2,3,5-Tri(cyclohexa-1,3-dien-1-yl)-1,3,4-thiadiazol-3-ium

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 4 raw suppliers

Chemical Property of 2,3,5-Tri(cyclohexa-1,3-dien-1-yl)-1,3,4-thiadiazol-3-ium

Chemical Property:

PSA：45.01000
LogP:5.08830
XLogP3:5.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:321.14254485
Heavy Atom Count:23
Complexity:636

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(=CC=C1)C2=N[N+](=C(S2)C3=CC=CCC3)C4=CC=CCC4

Technology Process of 2,3,5-Tri(cyclohexa-1,3-dien-1-yl)-1,3,4-thiadiazol-3-ium

There total 10 articles about 2,3,5-Tri(cyclohexa-1,3-dien-1-yl)-1,3,4-thiadiazol-3-ium 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: 62.0%

: 100-52-7
benzaldehyde

: 13437-75-7
N-Phenyl-N'-thiobenzoyl-hydrazin

: 13187-62-7
2,4,5-triphenyl-Δ²-1,3,4-thiadiazoline

Guidance literature:: With hydrogenchloride; In ethanol;
DOI:10.1039/P19810000360

Reference yield: 34.0%

: 79841-66-0
2,3,5-triphenyl-2-trimethylsilyl-2,3-dihydro-1,3,4-thiadiazole

: 13187-62-7
2,4,5-triphenyl-Δ²-1,3,4-thiadiazoline

: 636-04-4
N-Phenylbenzothioamide

Guidance literature:: With tetraethylammonium fluoride; In dimethyl sulfoxide; Ambient temperature;

Reference yield:

: 79841-55-7
trimethylsilyl phenyl thioketone

: 13187-62-7
2,4,5-triphenyl-Δ²-1,3,4-thiadiazoline

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent

2: Et₄NF

With tetraethylammonium fluoride;
DOI:10.1039/c39810000822