2H-Purine-2-thione, 6-amino-1,3-dihydro-

Base Information

• Chemical Name: 2H-Purine-2-thione, 6-amino-1,3-dihydro-
• CAS No.: 3647-48-1
• Deprecated CAS: 85892-43-9,936-24-3,936-24-3
• Molecular Formula: C5H5 N5 S
• Molecular Weight: 167.194
• Hs Code.: 2933990090
• NSC Number: 52758
• UNII: 43X4752BZW
• DSSTox Substance ID: DTXSID4063113
• Nikkaji Number: J2.186E
• Wikidata: Q27467744
• Mol file: 3647-48-1.mol

Synonyms:2-Mercapto-6-aminopurine;2-Mercaptoadenine;3647-48-1;2-Thioadenine;2H-Purine-2-thione, 6-amino-1,3-dihydro-;6-Amino-2-mercaptopurine;Isoguanine, thio-;6-Amino-7H-purine-2-thiol;6-Aminopurine-2-thiol;6-amino-1,7-dihydropurine-2-thione;NSC 52758;Purine-2-thiol, 6-amino-;936-24-3;6-Amino-1,9-Dihydro-2h-Purine-2-Thione;6-Amino-3,7-Dihydro-2h-Purine-2-Thione;AI3-52236;2H-Purine-2-thione, 6-amino-3,7-dihydro-;43X4752BZW;NSC-52758;thioisoguanine;adenine-thiamine;2-(sulfanyl)adenine;SCHEMBL94773;UNII-43X4752BZW;DTXSID4063113;NSC52758;AKOS006331286;LS-127159;Q27467744;YH7

Chemical Property of 2H-Purine-2-thione, 6-amino-1,3-dihydro-

Chemical Property:

• Vapor Pressure: 0.000373mmHg at 25°C
• Refractive Index: 2.07
• Boiling Point: 273.3°Cat760mmHg
• PKA: 5.81±0.40(Predicted)
• Flash Point: 119.1°C
• PSA: 115.47000
• Density: 2.08g/cm³
• LogP: 1.17890
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.02656635
• Heavy Atom Count: 11
• Complexity: 313

Purity/Quality:

99% ^*data from raw suppliers

6-?Amino-?7H-?purine-?2-?thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=NC(=S)NC(=C2N1)N
• Uses: 6-?Amino-?7H-?purine-?2-?thiol is a reagent in the preparation of alkylated heterocyclic bases.

Technology Process of 2H-Purine-2-thione, 6-amino-1,3-dihydro-

There total 5 articles about 2H-Purine-2-thione, 6-amino-1,3-dihydro- 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: 90.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + 4,5,6-triamino-2-mercapto-pyrimidine (1073-99-0) → 6-aminopurine-2-thiol (3647-48-1)

Guidance literature:

With sulfuric acid; at 150 ℃; for 1.5h; Temperature;

Reference yield:

N-(4,6-diamino-2-thioxo-1,2-dihydro-pyrimidin-5-yl)-formamide (753502-74-8) → 6-amino-3,7-dihydro-purine-2-thione (3647-48-1,936-24-3)

Guidance literature:

at 237 ℃; under 1 Torr;

DOI:10.1093/jac/46.4.523 DOI:10.1021/ja01098a003

Reference yield:

→ 6-amino-3,7-dihydro-purine-2-thione (3647-48-1,936-24-3)

Guidance literature:

at 230 ℃; Die Kaliumverbindung entsteht;

upstream raw materials:

N-(4,6-diamino-2-thioxo-1,2-dihydro-pyrimidin-5-yl)-formamide

formamide

4,5,6-triamino-2-mercapto-pyrimidine

Downstream raw materials:

3-ethyl-3H-purin-6-ylamine

1,7-dihydro-6H-purin-6-one

7H-purin-6-ylamine

2-bromo-9H-purin-6-amine

Refernces

• 1、 -. "Purine derivatives having phosphodiesterase iv inhibition activity". . . Retrieved 2008/06/13.
• 2、 -. "Purine derivatives having phosphodiesterase IV inhibition activity". . . Retrieved 2008/06/13.