4-[(2,4-Dinitrophenyl)sulfanyl]-6-methylpyrimidin-2(1H)-one

Base Information

• Chemical Name: 4-[(2,4-Dinitrophenyl)sulfanyl]-6-methylpyrimidin-2(1H)-one
• CAS No.: 62652-27-1
• Molecular Formula: C11H8N4O5S
• DSSTox Substance ID: DTXSID80604787
• Wikidata: Q82502810

Synonyms:62652-27-1;SCHEMBL11336841;DTXSID80604787;4-[(2,4-Dinitrophenyl)sulfanyl]-6-methylpyrimidin-2(1H)-one

Chemical Property of 4-[(2,4-Dinitrophenyl)sulfanyl]-6-methylpyrimidin-2(1H)-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 308.02154054
• Heavy Atom Count: 21
• Complexity: 536

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=O)N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

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