Tert-butyl thiocyanate

Base Information

Chemical Name:Tert-butyl thiocyanate
CAS No.:37985-18-5
Molecular Formula:C5H9NS
Molecular Weight:115.199
Hs Code.:2930909090
DSSTox Substance ID:DTXSID70348941
Nikkaji Number:J338.277J
Wikidata:Q82123927
Mol file:37985-18-5.mol

Synonyms:tert-butyl thiocyanate;37985-18-5;tert.-Butyl thiocyanate;t-butyl thiocyanate;SCHEMBL6190717;DTXSID70348941

Suppliers and Price of Tert-butyl thiocyanate

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 3 raw suppliers

Chemical Property of Tert-butyl thiocyanate

Chemical Property:

Melting Point:10.5°C
Refractive Index:1.5005 (estimate)
Boiling Point:140°C (rough estimate)
PSA：49.09000
Density:0.919
LogP:1.99918
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:115.04557046
Heavy Atom Count:7
Complexity:92.4

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)SC#N

Technology Process of Tert-butyl thiocyanate

There total 7 articles about Tert-butyl thiocyanate 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%

: 507-20-0
tertiary butyl chloride

: 557-42-6
zinc(II) thiocyanate

: 590-42-1
tert-butyl isothiocyanate

: 37985-18-5
tert-butyl thiocyanate

Guidance literature:: zinc(II) thiocyanate; With titanium tetrachloride; In dichloromethane; for 0.166667h; ultrasound irradiation;

tertiary butyl chloride; With pyridine; In dichloromethane; at 25 ℃; for 5h; ultrasound irradiation;
DOI:10.1081/SCC-120021510

Reference yield: 54.0%

: 507-19-7
t-butyl bromide

: 557-42-6
zinc(II) thiocyanate

: 590-42-1
tert-butyl isothiocyanate

: 37985-18-5
tert-butyl thiocyanate

Guidance literature:: zinc(II) thiocyanate; With titanium tetrachloride; In dichloromethane; for 0.166667h; ultrasound irradiation;

t-butyl bromide; With pyridine; In dichloromethane; at 25 ℃; for 1h; ultrasound irradiation;
DOI:10.1081/SCC-120021510