9-hexyl-3H-purine-6-thione

Base Information

Chemical Name:9-hexyl-3H-purine-6-thione
CAS No.:23126-85-4
Molecular Formula:C₁₁H₁₆N₄S
Molecular Weight:236.341
Hs Code.:
NSC Number:407423
DSSTox Substance ID:DTXSID00401836
ChEMBL ID:CHEMBL299088
Mol file:23126-85-4.mol

Synonyms:NSC407423;23126-85-4;CHEMBL299088;DTXSID00401836;NSC-407423

Suppliers and Price of 9-hexyl-3H-purine-6-thione

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 9-hexyl-3H-purine-6-thione

Chemical Property:

Vapor Pressure:4.5E-08mmHg at 25°C
Boiling Point:443.8°Cat760mmHg
Flash Point:222.2°C
Density:1.27g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:236.10956770
Heavy Atom Count:16
Complexity:279

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCN1C=NC2=C1NC=NC2=S

Technology Process of 9-hexyl-3H-purine-6-thione

There total 4 articles about 9-hexyl-3H-purine-6-thione 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: 94.0%

: 91244-80-3
6-chloro-9-hexyl-9H-purine

: 23126-85-4
9-Hexyl-1,9-dihydro-purine-6-thione

Guidance literature:: With thiourea; In ethanol; for 1h; Heating;
DOI:10.1021/jm00027a022

Reference yield:

: 111-25-1
1-bromo-hexane

: 23126-85-4
9-Hexyl-1,9-dihydro-purine-6-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) CH₃CN, RT, 30 min, 2.) CH₃CN, RT, 20 h

2: 94 percent / thiourea / ethanol / 1 h / Heating

With sodium hydride; thiourea; In ethanol;
DOI:10.1021/jm00027a022

Reference yield:

: 87-42-3
6-chloropurine

: 23126-85-4
9-Hexyl-1,9-dihydro-purine-6-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) CH₃CN, RT, 30 min, 2.) CH₃CN, RT, 20 h

2: 94 percent / thiourea / ethanol / 1 h / Heating

With sodium hydride; thiourea; In ethanol;
DOI:10.1021/jm00027a022