1-(2,4,6-Trimethyl-phenyl)-1H-tetrazole-5-thiol

Base Information

Chemical Name:1-(2,4,6-Trimethyl-phenyl)-1H-tetrazole-5-thiol
CAS No.:52127-86-3
Molecular Formula:C₁₀H₁₂N₄S
Molecular Weight:220.298
Hs Code.:
DSSTox Substance ID:DTXSID701190318
ChEMBL ID:CHEMBL1383864

Synonyms:52127-86-3;MLS000861771;SCHEMBL1250389;CHEMBL1383864;DTXSID701190318;HMS2786I17;AKOS000297176;CCG-245324;SMR000460555;1-(2,4,6-Trimethyl-phenyl)-1H-tetrazole-5-thiol;1-mesityl-4,5-dihydro-1H-1,2,3,4-tetraazole-5-thione;1,2-Dihydro-1-(2,4,6-trimethylphenyl)-5H-tetrazole-5-thione

Suppliers and Price of 1-(2,4,6-Trimethyl-phenyl)-1H-tetrazole-5-thiol

Supply Marketing:

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

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Chemical Property of 1-(2,4,6-Trimethyl-phenyl)-1H-tetrazole-5-thiol

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:220.07826757
Heavy Atom Count:15
Complexity:279

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)N2C(=S)N=NN2)C

Technology Process of 1-(2,4,6-Trimethyl-phenyl)-1H-tetrazole-5-thiol

There total 4 articles about 1-(2,4,6-Trimethyl-phenyl)-1H-tetrazole-5-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: 73.0%

: 6095-82-5
2,4,6-trimethylphenyl isothiocyanate

: 52127-86-3
1-(2,4,6-trimethylphenyl)tetrazole-5-thiol

Guidance literature:: With sodium azide; In water; for 5h; Reflux;
DOI:10.1021/acs.inorgchem.9b03550

Reference yield:

: 88-05-1
2,4,6-trimethylaniline

: 52127-86-3
1-(2,4,6-trimethylphenyl)tetrazole-5-thiol

Guidance literature:: Multi-step reaction with 3 steps

1: diethyl ether / 2 - 5 °C

2: Et₃N; EtOCOCl / CHCl₃ / -10 - 20 °C

3: aq. NaN₃ / 3 h / Heating

With sodium azide; chloroformic acid ethyl ester; triethylamine; In diethyl ether; chloroform;
DOI:10.1023/A:1015387108748

Reference yield:

: (2,4,6-trimethyl-phenyl)-dithiocarbamic acid; compound with triethyl-amine

: 52127-86-3
1-(2,4,6-trimethylphenyl)tetrazole-5-thiol

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N; EtOCOCl / CHCl₃ / -10 - 20 °C

2: aq. NaN₃ / 3 h / Heating

With sodium azide; chloroformic acid ethyl ester; triethylamine; In chloroform;
DOI:10.1023/A:1015387108748