ChemSpider 2D Image | 6,9-Dichloro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one | C10H4Cl2N2OS

6,9-Dichloro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one

  • Molecular FormulaC10H4Cl2N2OS
  • Average mass271.123 Da
  • Monoisotopic mass269.942139 Da
  • ChemSpider ID24642106

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[1]Benzothieno[3,2-d]pyrimidin-4(3H)-one, 6,9-dichloro- [ACD/Index Name]
6,9-Dichlor[1]benzothieno[3,2-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
6,9-Dichloro[1]benzothieno[3,2-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
6,9-Dichloro[1]benzothiéno[3,2-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
benzothienopyrimidinone deriv., 3b
Kinome_3259
LWG

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 526.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.9±28.7 °C
Index of Refraction: 1.830
Molar Refractivity: 65.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.80
ACD/KOC (pH 5.5): 1453.42
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.90
ACD/KOC (pH 7.4): 1422.55
Polar Surface Area: 70 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 70.4±7.0 dyne/cm
Molar Volume: 147.9±7.0 cm3

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