6-Thiocaffeine

Base Information Edit

Chemical Name:6-Thiocaffeine
CAS No.:13182-58-6
Molecular Formula:C₈H₁₀N₄OS
Molecular Weight:210.26
Hs Code.:
DSSTox Substance ID:DTXSID70157217
Nikkaji Number:J1.410.412G
Wikidata:Q83025369
ChEMBL ID:CHEMBL4591369
Mol file:13182-58-6.mol

Synonyms:1,3,7-trimethyl-6-thioxo-2-oxopurine;6-thiocaffeine

Suppliers and Price of 6-Thiocaffeine

Supply Marketing:Edit

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

American Custom Chemicals Corporation
6-THIOCAFFEINE 95.00%
5MG
$ 498.71

Total 2 raw suppliers

Chemical Property of 6-Thiocaffeine Edit

Chemical Property:

Vapor Pressure:3.76E-07mmHg at 25°C
Boiling Point:416.6°Cat760mmHg
Flash Point:205.8°C
PSA：76.84000
Density:1.45g/cm³
LogP:0.34000
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:210.05753213
Heavy Atom Count:14
Complexity:295

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

6-THIOCAFFEINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=NC2=C1C(=S)N(C(=O)N2C)C

Technology Process of 6-Thiocaffeine

There total 7 articles about 6-Thiocaffeine 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%