Pteridine, 2-(methylthio)-

Base Information

• Chemical Name: Pteridine, 2-(methylthio)-
• CAS No.: 16878-77-6
• Molecular Formula: C7H6N4S
• Molecular Weight: 178.21400
• DSSTox Substance ID: DTXSID80356456
• Wikidata: Q82135793
• Mol file: 16878-77-6.mol

Synonyms:Pteridine, 2-(methylthio)-;2-methylsulfanylpteridine;16878-77-6;methyl 2-pteridinyl sulfide;2-(Methylthio)pteridine;SCHEMBL4378136;DTXSID80356456;AC-907/34112046

Chemical Property of Pteridine, 2-(methylthio)-

Chemical Property:

• Vapor Pressure: 1.28E-05mmHg at 25°C
• Melting Point: 136°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 379.4oC at 760 mmHg
• Flash Point: 183.3oC
• PSA: 76.86000
• Density: 1.41g/cm3
• LogP: 1.14170
• Water Solubility.: 3.115g/L(20 oC)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 178.03131738
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=NC=CN=C2C=N1

Technology Process of Pteridine, 2-(methylthio)-

There total 3 articles about Pteridine, 2-(methylthio)- 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:

2-(methylthio)-4,5-diaminopyrimidine (50680-76-7) → 2-Methylthio-pteridin (16878-77-6)

Guidance literature:

With methanol;

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;

Reference yield:

→ 2-Methylthio-pteridin (16878-77-6)

Guidance literature:

2-Mercapto-pteridin, Methyliodid, in wss. NaOH;

upstream raw materials:

1H-pteridine-2-thione

methyl iodide

2-(methylthio)-4,5-diaminopyrimidine