2-(Methylamino)-3,7-dihydropurine-6-thione

Base Information

• Chemical Name: 2-(Methylamino)-3,7-dihydropurine-6-thione
• CAS No.: 22529-10-8
• Molecular Formula: C6H7 N5 S
• Molecular Weight: 181.2183
• NSC Number: 511952
• DSSTox Substance ID: DTXSID30401849
• Wikidata: Q82205112
• Mol file: 22529-10-8.mol

Synonyms:22529-10-8;AC1N87HT;SCHEMBL3291329;SCHEMBL17373199;DTXSID30401849;NSC511952;NSC-511952

Chemical Property of 2-(Methylamino)-3,7-dihydropurine-6-thione

Chemical Property:

• Vapor Pressure: 0.0026mmHg at 25°C
• Boiling Point: 286.7°Cat760mmHg
• Flash Point: 127.2°C
• Density: 1.75g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 181.04221642
• Heavy Atom Count: 12
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=NC(=S)C2=C(N1)N=CN2

Technology Process of 2-(Methylamino)-3,7-dihydropurine-6-thione

There total 4 articles about 2-(Methylamino)-3,7-dihydropurine-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:

1,7-dihydro-2-(methylamino)-6H-purin-6-one (10030-78-1) → 2-methylamino-1,7-dihydro-purine-6-thione (22529-10-8)

Guidance literature:

With pyridine; tetraphosphorus decasulfide;

DOI:10.1021/ja01582a060

Reference yield:

2-thioxanthine (2487-40-3) → 2-methylamino-1,7-dihydro-purine-6-thione (22529-10-8)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. NaOH solution

2: methanol / 140 °C

3: pyridine; P₂S₅

With pyridine; methanol; sodium hydroxide; tetraphosphorus decasulfide;

DOI:10.1021/ja01582a060

Reference yield:

2-methylsulfanyl-1,7(9)-dihydro-purin-6-one (5446-89-9) → 2-methylamino-1,7-dihydro-purine-6-thione (22529-10-8)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 140 °C

2: pyridine; P₂S₅

With pyridine; methanol; tetraphosphorus decasulfide;

DOI:10.1021/ja01582a060

upstream raw materials:

1,7-dihydro-2-(methylamino)-6H-purin-6-one

2-methylsulfanyl-1,7⁽⁹⁾-dihydro-purin-6-one

methylamine

2-thioxanthine