Pteridine-2-thiol

Base Information

• Chemical Name: Pteridine-2-thiol
• CAS No.: 16878-76-5
• Molecular Formula: C6H4N4S
• Molecular Weight: 164.18800
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80563269
• Wikidata: Q82447664
• Mol file: 16878-76-5.mol

Synonyms:Pteridine-2-thiol;16878-76-5;1H-pteridine-2-thione;mercapto-pteridine;pteridine-2-thione;Pteridine-2(1H)-thione;SCHEMBL4387724;DTXSID80563269;AKOS006305841;W-205984

Chemical Property of Pteridine-2-thiol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 205°C
• Refractive Index: 1.5605 (estimate)
• Boiling Point: 367.789oC at 760 mmHg
• PKA: 0.27±0.20(Predicted)
• Flash Point: 176.233oC
• PSA: 90.36000
• Density: 1.506g/cm3
• LogP: 0.70850
• Water Solubility.: 713.8mg/L(22.5 oC)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.01566732
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

98.5% ^*data from raw suppliers

Pteridine-2-thiol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C2C(=N1)C=NC(=S)N2

Technology Process of Pteridine-2-thiol

There total 2 articles about Pteridine-2-thiol 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:

4,5-diamino-1H-pyrimidine-2-thione (14623-58-6) + Glyoxal (131543-46-9,107-22-2) → 1H-pteridine-2-thione (16878-76-5)

Guidance literature:

With water;

DOI:10.1021/ja01202a502

Reference yield:

4,5-diamino-1H-pyrimidine-2-thione (14623-58-6) → 1H-pteridine-2-thione (16878-76-5)

Guidance literature:

DOI:10.1021/ja01202a502

Reference yield:

1H-pteridine-2-thione (16878-76-5) + methyl iodide (74-88-4) → 2-Methylthio-pteridin (16878-77-6)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

4,5-diamino-1H-pyrimidine-2-thione

Glyoxal

Downstream raw materials:

2-Methylthio-pteridin