5-Butylsulfanyl-1H-tetrazole

Base Information

Chemical Name:5-Butylsulfanyl-1H-tetrazole
CAS No.:21871-49-8
Molecular Formula:C5H10 N4 S
Molecular Weight:158.22
Hs Code.:2933990090
DSSTox Substance ID:DTXSID401311274
ChEMBL ID:CHEMBL1535223
Mol file:21871-49-8.mol

Synonyms:21871-49-8;5-(N-BUTYLTHIO)-1H-TETRAZOLE;5-Butylsulfanyl-1H-tetrazole;MLS000035671;5-(Butylthio)-2H-tetrazole;SCHEMBL9634812;5-(butylsulfanyl)-1h-tetrazole;CHEMBL1535223;DTXSID401311274;HMS2497C18;AKOS000514632;SMR000008538;5-(BUTYLSULFANYL)-1H-1,2,3,4-TETRAZOLE

Suppliers and Price of 5-Butylsulfanyl-1H-tetrazole

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 6 raw suppliers

Chemical Property of 5-Butylsulfanyl-1H-tetrazole

Chemical Property:

Boiling Point:306.7±25.0 °C(Predicted)
PKA:3.77±0.10(Predicted)
PSA：79.76000
Density:1.23±0.1 g/cm3(Predicted)
LogP:1.09190
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:158.06261751
Heavy Atom Count:10
Complexity:89.7

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCSC1=NNN=N1

Technology Process of 5-Butylsulfanyl-1H-tetrazole

There total 4 articles about 5-Butylsulfanyl-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: 91.0%

: 109-65-9
1-bromo-butane

: 333-20-0
potassium thioacyanate

: 21871-49-8
5-(butylthio)tetrazole

Guidance literature:: 1-bromo-butane; potassium thioacyanate; In ethanol; at 78 ℃; for 6h;

With sodium azide; zinc(II) chloride; In ethanol; at 50 ℃; for 1.5h;
DOI:10.1134/S1070363217060305

Reference yield: 90.0%

: 71037-08-6
Butylsulfanyl-acetonitrile

: 21871-49-8
5-(butylthio)tetrazole

Guidance literature:: With sodium azide; titanium(IV) dioxide; In N,N-dimethyl-formamide; at 110 ℃; for 20h; regiospecific reaction;
DOI:10.3184/174751914X14061217395813

Reference yield: 85.0%

: 628-83-1
n-butylthiocyanate

: 21871-49-8
5-(butylthio)tetrazole

Guidance literature:: With sodium azide; ammonium chloride; cetyltrimethylammonim bromide; In water; toluene; at 89 ℃; for 75h;
DOI:10.1080/00397919808004905