2-Chloro-7-methyl-1H-purine-6(7H)-thione

Base Information

Chemical Name:2-Chloro-7-methyl-1H-purine-6(7H)-thione
CAS No.:53050-28-5
Molecular Formula:C6H5 Cl N4 S
Molecular Weight:200.651
Hs Code.:2933990090
NSC Number:22733
DSSTox Substance ID:DTXSID90393539
Nikkaji Number:J2.558.045A
Mol file:53050-28-5.mol

Synonyms:53050-28-5;2-Chloro-7-methyl-1H-purine-6(7H)-thione;NSC22733;2-chloro-7-methyl-6-thiopurine;DTXSID90393539;2-chloro-7-methyl-6-purinethione;NSC-22733;2-Chloro-7-methyl-3,7-dihydro-6H-purine-6-thione

Suppliers and Price of 2-Chloro-7-methyl-1H-purine-6(7H)-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 4 raw suppliers

Chemical Property of 2-Chloro-7-methyl-1H-purine-6(7H)-thione

Chemical Property:

Vapor Pressure:3.58E-08mmHg at 25°C
Melting Point:>300 °C
Boiling Point:446.6°Cat760mmHg
PKA:5.18±0.20(Predicted)
Flash Point:223.9°C
PSA：78.59000
Density:1.75g/cm³
LogP:1.67930
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:199.9923450
Heavy Atom Count:12
Complexity:254

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=NC2=C1C(=S)N=C(N2)Cl

Technology Process of 2-Chloro-7-methyl-1H-purine-6(7H)-thione

There total 3 articles about 2-Chloro-7-methyl-1H-purine-6(7H)-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: 95.0%

: 2,6-dichloro-7-methylpurine

: 53050-28-5
2-chloro-7-methyl-6-purinethione

Guidance literature:: With sodium sulfide; In water;
DOI:10.1080/10426500701542734

Reference yield: 94.0%

: 2273-93-0
2,6-dichloro-7-methylpurine

: 53050-28-5
2-chloro-7-methyl-6-purinethione

Guidance literature:: With sodium hydrogensulfide; In water;
DOI:10.1007/BF02256849

Reference yield:

: 83-67-0
theobromine /

: 53050-28-5
2-chloro-7-methyl-6-purinethione

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / PCl₃; POCl₃

2: 94 percent / NaSH / H₂O

With sodium hydrogensulfide; trichlorophosphate; phosphorus trichloride; In water; 1: Substitution / 2: Substitution;
DOI:10.1007/BF02256849