1-(4-methoxyphenyl)-1H-tetrazole-5-thiol

Base Information

Chemical Name:1-(4-methoxyphenyl)-1H-tetrazole-5-thiol
CAS No.:13980-76-2
Molecular Formula:C8H8 N4 O S
Molecular Weight:208.244
Hs Code.:2933990090
European Community (EC) Number:672-670-8
DSSTox Substance ID:DTXSID80351289
Nikkaji Number:J2.522.021H
Wikidata:Q82127591
Mol file:13980-76-2.mol

Synonyms:13980-76-2;1-(4-methoxyphenyl)-1H-tetrazole-5-thiol;5-Mercapto-1-(4-methoxyphenyl)-1H-tetrazole;1-(4-methoxyphenyl)-2H-tetrazole-5-thione;5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl)-;1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazole-5-thiol;1-(4-methoxyphenyl)-1,4-dihydro-5H-tetrazole-5-thione;SCHEMBL1247788;SCHEMBL8033928;DTXSID80351289;UFALKIBIWOKBDL-UHFFFAOYSA-N;BBL012639;MFCD01321180;STK795551;STK803283;1-(4-methoxyphenyl)tetrazol-5-thione;AKOS000268223;AKOS000347994;VS-03427;CS-0307604;FT-0605745;M1292;EN300-03333;D91478;SR-01000521478;SR-01000521478-1;Z56828417;F2135-0692;5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-methoxyphenyl);1-(4-METHOXYPHENYL)-4,5-DIHYDRO-1H-1,2,3,4-TETRAZOLE-5-THIONE

Suppliers and Price of 1-(4-methoxyphenyl)-1H-tetrazole-5-thiol

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

TRC
1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol
1g
$ 90.00

TCI Chemical
5-Mercapto-1-(4-methoxyphenyl)-1H-tetrazole >98.0%(T)
10g
$ 156.00

American Custom Chemicals Corporation
1-(4-METHOXYPHENYL)-1H-TETRAZOLE-5-THIOL 95.00%
1G
$ 136.50

AK Scientific
1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol
500mg
$ 208.00

Total 13 raw suppliers

Chemical Property of 1-(4-methoxyphenyl)-1H-tetrazole-5-thiol

Chemical Property:

Melting Point:156-160°C
Boiling Point:305.9oC at 760 mmHg
Flash Point:138.8oC
PSA：91.63000
Density:1.45g/cm3
LogP:0.95960
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:208.04188206
Heavy Atom Count:14
Complexity:250

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(4-Methoxyphenyl)-1H-tetrazole-5-thiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 11
Safety Statements: 7/9-15-16-33

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)N2C(=S)N=NN2

Technology Process of 1-(4-methoxyphenyl)-1H-tetrazole-5-thiol

There total 7 articles about 1-(4-methoxyphenyl)-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: 62.0%

: 2284-20-0
4-Methoxyphenyl isothiocyanate

: 13980-76-2
1-(4-methoxyphenyl)-1H-tetrazole-5-thiol

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

Reference yield:

: 2284-20-0
4-Methoxyphenyl isothiocyanate

: 13980-76-2
1-(4-methoxyphenyl)tetrazol-5-thione

Guidance literature:: In ethanol;

Reference yield:

: 43009-18-3
4-methoxyphenyl dithiocarbamic acid triethylammonium

: 13980-76-2
1-(4-methoxyphenyl)-1H-tetrazole-5-thiol

Guidance literature:: Multi-step reaction with 2 steps

1: bis(trichloromethyl) carbonate / chloroform / 20 °C

2: sodium azide / water / 5 h / Reflux

With sodium azide; bis(trichloromethyl) carbonate; In chloroform; water;
DOI:10.1016/j.ejmech.2021.113778