2-(methylthio)pyrimidin-4(5H)-one

Base Information

• Chemical Name: 2-(methylthio)pyrimidin-4(5H)-one
• CAS No.: 76455-84-0
• Molecular Formula: C5H6 N2 O S
• Molecular Weight: 142.17894
• DSSTox Substance ID: DTXSID50703716
• Wikidata: Q82635957
• Mol file: 76455-84-0.mol

Synonyms:2-(methylthio)pyrimidin-4(5H)-one;76455-84-0;2-methylsulfanyl-5H-pyrimidin-4-one;SCHEMBL6789696;DTXSID50703716;NGNHEBHDAMZDFA-UHFFFAOYSA-N;2-(Methylsulfanyl)pyrimidin-4(5H)-one

Chemical Property of 2-(methylthio)pyrimidin-4(5H)-one

Chemical Property:

• PSA: 67.09000
• LogP: -0.42230
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.02008399
• Heavy Atom Count: 9
• Complexity: 185

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=O)CC=N1