4-chlorobenzyl 7H-purin-6-yl sulfide

Base Information

Chemical Name:4-chlorobenzyl 7H-purin-6-yl sulfide
CAS No.:5069-67-0
Molecular Formula:C12H9ClN4S
Molecular Weight:276.749
Hs Code.:2933990090
NSC Number:19491
DSSTox Substance ID:DTXSID10350189
Wikidata:Q82125998
ChEMBL ID:CHEMBL1402653
Mol file:5069-67-0.mol

Synonyms:4-chlorobenzyl 7H-purin-6-yl sulfide;5069-67-0;CHEMBL1402653;6-[(4-chlorophenyl)methylsulfanyl]-7H-purine;Oprea1_314677;MLS000700959;REGID_for_CID_675294;SCHEMBL21639774;DTXSID10350189;HMS2607M18;NSC19491;BDBM50562379;NSC-19491;STL445553;AKOS003931147;AKOS021996986;CCG-110902;6-[(4-chlorobenzyl)sulfanyl]-7H-purine;SMR000226462;SR-01000484179;SR-01000484179-1

Suppliers and Price of 4-chlorobenzyl 7H-purin-6-yl sulfide

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 4-chlorobenzyl 7H-purin-6-yl sulfide

Chemical Property:

Vapor Pressure:4.27E-07mmHg at 25°C
Boiling Point:426.8°Cat760mmHg
Flash Point:211.9°C
PSA：79.76000
Density:1.51g/cm³
LogP:3.29860
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:276.0236452
Heavy Atom Count:18
Complexity:273

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)Cl

Technology Process of 4-chlorobenzyl 7H-purin-6-yl sulfide

There total 3 articles about 4-chlorobenzyl 7H-purin-6-yl sulfide 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: 79.0%

: 622-95-7
4-chlorobenzyl bromide

: 157930-09-1,157930-10-4,157930-11-5,157930-13-7,157930-14-8
6-Mercaptopurine

: 5069-67-0
6-((4-chlorobenzyl)thio)-9H-purine

Guidance literature:: 6-Mercaptopurine; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

4-chlorobenzyl bromide; In N,N-dimethyl-formamide; at 20 ℃;