3-(Pyrimidin-2-ylthio)pentane-2,4-dione

• Catalog Number: ACM175277255-1
• Product Name: 3-(Pyrimidin-2-ylthio)pentane-2,4-dione
• CAS: 175277-25-5
• Category: Heterocyclic Organic Compound
• Synonyms: 2,4-Pentanedione, 3-(2-pyrimidinylthio)-
• IUPAC Name: 3-pyrimidin-2-ylsulfanylpentane-2,4-dione
• Molecular Weight: 210.25
• Molecular Formula: C9H10N2O2S
• Canonical SMILES: CC(=O)C(C(=O)C)SC1=NC=CC=N1
• InChI: PFADKNBSIBFUDF-UHFFFAOYSA-N
• InChI Key: InChI=1S/C9H10N2O2S/c1-6(12)8(7(2)13)14-9-10-4-3-5-11-9/h3-5,8H,1-2H3
• Boiling Point: 314.9ºC at 760mmHg
• Flash Point: 144.3ºC
• Density: 1.25g/cm³
• Appearance: Solid
• Exact Mass: 210.04600
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Isomeric SMILES: CC(=O)C(C(=O)C)SC1=NC=CC=N1