9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione

Base Information

Chemical Name:9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione
CAS No.:74247-54-4
Molecular Formula:C₁₂H₁₈N₄O₅S₂
Molecular Weight:362.431
Hs Code.:
NSC Number:331774
DSSTox Substance ID:DTXSID40392077

Synonyms:74247-54-4;NSC331774;DTXSID40392077;NSC-331774;1-S-Methyl-1-C-(6-sulfanylidene-3,6-dihydro-9H-purin-9-yl)-1-thiohexitol

Suppliers and Price of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-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 3 raw suppliers

Chemical Property of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione

Chemical Property:

Vapor Pressure:1.84E-28mmHg at 25°C
Boiling Point:820.2°C at 760 mmHg
Flash Point:449.8°C
Density:1.79g/cm³
XLogP3:-2.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:362.07186203
Heavy Atom Count:23
Complexity:457

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC(C(C(C(C(CO)O)O)O)O)N1C=NC2=C1NC=NC2=S

Technology Process of 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione

There total 2 articles about 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-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: 65.0%

: 74247-53-3
2,3,4,5,6-penta-O-acetyl-1-(1,6-dihydro-6-thioxopurin-9-yl)-1-S-methyl-1-thio-D-glycero-D-ido-hexitol

: 74247-54-4
1-(1,6-dihydro-6-thioxopurin-9-yl)-1-S-methyl-1-thio-D-glycero-D-ido-hexitol

Guidance literature:: With ammonia; In methanol; at 0 - 5 ℃; for 0.5h;
DOI:10.1016/S0008-6215(00)84863-6

Reference yield:

: 74247-51-1
2,3,4,5,6-penta-O-acetyl-1-(6-chloropurin-9-yl)-1-S-methyl-1-thio-D-glycero-D-ido-hexitol

: 74247-54-4
1-(1,6-dihydro-6-thioxopurin-9-yl)-1-S-methyl-1-thio-D-glycero-D-ido-hexitol

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / ethanol / 3 h / Heating

2: 65 percent / ammonia / methanol / 0.5 h / 0 - 5 °C

With ammonia; In methanol; ethanol;
DOI:10.1016/S0008-6215(00)84863-6