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

Base Information

• Chemical Name: 3-(Pyrimidin-2-ylthio)pentane-2,4-dione
• CAS No.: 175277-25-5
• Molecular Formula: C9H10N2O2S
• Molecular Weight: 210.25
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID40372556
• Wikidata: Q82160332
• Mol file: 175277-25-5.mol

Synonyms:3-(pyrimidin-2-ylthio)pentane-2,4-dione;175277-25-5;3-pyrimidin-2-ylsulfanylpentane-2,4-dione;3-(pyrimidin-2-ylsulfanyl)pentane-2,4-dione;2,4-Pentanedione, 3-(2-pyrimidinylthio)-;DTXSID40372556;CCG-41108;MFCD00178515;AKOS015908706;AS-64815;CS-0359644;FT-0613874;F81412;A911729;SR-01000004616;SR-01000004616-1;SR-01000004616-2;BRD-K55461269-001-01-7

Chemical Property of 3-(Pyrimidin-2-ylthio)pentane-2,4-dione

Chemical Property:

• Vapor Pressure: 0.000451mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 314.9 °C at 760 mmHg
• Flash Point: 144.3 °C
• PSA: 85.22000
• Density: 1.25 g/cm³
• LogP: 1.11530
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 210.04629874
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99.99%HPLC ^*data from raw suppliers

3-(Pyrimidin-2-ylthio)pentane-2,4-dione 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)C)SC1=NC=CC=N1