1-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone

Base Information

• Chemical Name: 1-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone
• CAS No.: 696-13-9
• Molecular Formula: C₅H₈N₂OS
• Molecular Weight: 144.197
• European Community (EC) Number: 635-315-8
• ChEMBL ID: CHEMBL472768
• DSSTox Substance ID: DTXSID80403590
• NSC Number: 56904
• Mol file: 696-13-9.mol

Synonyms:NSC-56904;696-13-9;NSC56904;1-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone;CHEMBL472768;SCHEMBL23323359;DTXSID80403590;AKOS024339475

Chemical Property of 1-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone

Chemical Property:

• Density: 1.31g/cm³
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.03573406
• Heavy Atom Count: 9
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CCC(=O)NC1=S

Technology Process of 1-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone

There total 1 articles about 1-methyl-2-thioxotetrahydro-4(1H)-pyrimidinone 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-Methyl-5,6-dihydro-2-thiouracil (696-13-9)

Guidance literature:

Methylthioharnstoff, β-Propiolacton;

DOI:10.1002/ardp.19773100402

Refernces