6-Amyl-2-thiouracil

Base Information

• Chemical Name: 6-Amyl-2-thiouracil
• CAS No.: 53939-85-8
• Molecular Formula: C9H14N2OS
• Molecular Weight: 198.2853
• NSC Number: 102025
• DSSTox Substance ID: DTXSID20390975
• ChEMBL ID: CHEMBL1485639
• Mol file: 53939-85-8.mol

Synonyms:53939-85-8;MLS000737233;NSC 102025;NSC102025;6-Amyl-2-thiouracil;NCIOpen2_001636;SCHEMBL7161078;SCHEMBL8944425;CHEMBL1485639;DTXSID20390975;HMS2886L15;NSC-102025;SMR000528474

Chemical Property of 6-Amyl-2-thiouracil

Chemical Property:

• Vapor Pressure: 4.36E-06mmHg at 25°C
• Boiling Point: 372.8°Cat760mmHg
• Flash Point: 179.3°C
• Density: 1.16g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.08268425
• Heavy Atom Count: 13
• Complexity: 248

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC1=CC(=O)NC(=S)N1

Technology Process of 6-Amyl-2-thiouracil

There total 1 articles about 6-Amyl-2-thiouracil 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:

thiourea (17356-08-0) + ethyl 3-oxooctanoate (10488-95-6) → 6-pentyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (53939-85-8)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/ja01228a042

Reference yield:

6-pentyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one (53939-85-8) → 6-n-pentyluracil (13318-61-1)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide;

upstream raw materials:

thiourea

ethyl 3-oxooctanoate

Downstream raw materials:

6-n-pentyluracil