ChemSpider 2D Image | 3-(2,3-Dichlorophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one | C12H6Cl2N2OS2

3-(2,3-Dichlorophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC12H6Cl2N2OS2
  • Average mass329.225 Da
  • Monoisotopic mass327.929871 Da
  • ChemSpider ID33217123

More details:

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

3-(2,3-Dichlorophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(2,3-Dichlorophényl)-2-sulfanylthiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
3-(2,3-Dichlorphenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 3-(2,3-dichlorophenyl)-2-mercapto- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 494.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.7±31.5 °C
Index of Refraction: 1.788
Molar Refractivity: 82.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 73.52
ACD/KOC (pH 5.5): 500.67
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 8.88
Polar Surface Area: 100 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 194.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement