5-(benzylsulfanyl)-1-methyl-1H-tetrazole

Base Information

Chemical Name:5-(benzylsulfanyl)-1-methyl-1H-tetrazole
CAS No.:56610-79-8
Molecular Formula:C9H10N4S
Molecular Weight:206.271
Hs Code.:
DSSTox Substance ID:DTXSID60879476
Nikkaji Number:J1.577.546G
Wikidata:Q82861594

Synonyms:56610-79-8;1H-Tetrazole, 1-methyl-5-[(phenylmethyl)thio]-;5-(benzylsulfanyl)-1-methyl-1H-tetrazole;SCHEMBL11634052;DTXSID60879476;HMS1653B18;STL163347;AKOS002212400;1-Methyl-5-(benzylthio)-1H-tetrazole;SR-01000013689;SR-01000013689-1

Suppliers and Price of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:206.06261751
Heavy Atom Count:14
Complexity:172

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN=N1)SCC2=CC=CC=C2

Technology Process of 5-(benzylsulfanyl)-1-methyl-1H-tetrazole

There total 6 articles about 5-(benzylsulfanyl)-1-methyl-1H-tetrazole 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: 92.0%

: 13183-79-4
1-methyl-1,4-dihydro-tetrazole-5-thione

: 100-44-7
benzyl chloride

: 56610-79-8
1-methyl-5-benzylthio-1H-tetrazole

Guidance literature:: With sodium hydroxide; tetrabutylammomium bromide; In chloroform; at 60 ℃; for 7.5h;

Reference yield: 77.0%

: 100-39-0
benzyl bromide

: 13183-79-4
1-methyl-5-mercaptotetrazole

: 56610-79-8
1-methyl-5-benzylthio-1H-tetrazole

Guidance literature:: With potassium carbonate; In acetone; at 70 ℃; for 2h;
DOI:10.1016/j.jfluchem.2007.07.013

Reference yield: 38.0%

: 13183-79-4
1-methyl-5-mercaptotetrazole

: 108-88-3,15644-74-3,16713-13-6
toluene

: 56610-79-8
1-methyl-5-benzylthio-1H-tetrazole

Guidance literature:: With di-tert-butyl peroxide; iodine; In toluene; at 120 ℃; for 5h; Schlenk technique; Inert atmosphere;
DOI:10.1039/c4cc05661b