Phenyl(thiadiazol-5-yl)methanone

Base Information

Chemical Name:Phenyl(thiadiazol-5-yl)methanone
CAS No.:136918-89-3
Molecular Formula:C9H6N2OS
Molecular Weight:190.225
Hs Code.:
DSSTox Substance ID:DTXSID501286575
Mol file:136918-89-3.mol

Synonyms:136918-89-3;DTXSID501286575;AKOS004900674;Phenyl-1,2,3-thiadiazol-5-ylmethanone

Suppliers and Price of Phenyl(thiadiazol-5-yl)methanone

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Phenyl(thiadiazol-5-yl)methanone

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:190.02008399
Heavy Atom Count:13
Complexity:192

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)C2=CN=NS2

Technology Process of Phenyl(thiadiazol-5-yl)methanone

There total 2 articles about Phenyl(thiadiazol-5-yl)methanone 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: 75.0%

: 23674-58-0
(E)-3-(diethylamino)-1-phenylprop-2-en-1-one

: 136918-89-3
5-Benzoyl-1,2,3-thiadiazole

Guidance literature:: With iodine; sulfur; toluene-4-sulfonic acid hydrazide; In dimethyl sulfoxide; at 100 ℃; for 12h;
DOI:10.1021/acs.joc.1c00823

Reference yield:

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 136918-89-3
5-Benzoyl-1,2,3-thiadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: tert.-butylhydroperoxide / water; chlorobenzene / 8 h / 70 °C

2: toluene-4-sulfonic acid hydrazide; iodine; sulfur / dimethyl sulfoxide / 12 h / 100 °C

With tert.-butylhydroperoxide; iodine; sulfur; toluene-4-sulfonic acid hydrazide; In water; dimethyl sulfoxide; chlorobenzene;
DOI:10.1021/acs.joc.1c00823