ChemSpider 2D Image | 4-Chloro-2-{[(2-chlorophenyl)sulfanyl]methyl}thieno[2,3-d]pyrimidine | C13H8Cl2N2S2

4-Chloro-2-{[(2-chlorophenyl)sulfanyl]methyl}thieno[2,3-d]pyrimidine

  • Molecular FormulaC13H8Cl2N2S2
  • Average mass327.252 Da
  • Monoisotopic mass325.950592 Da
  • ChemSpider ID39868329

More details:

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

4-Chlor-2-{[(2-chlorphenyl)sulfanyl]methyl}thieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-Chloro-2-{[(2-chlorophenyl)sulfanyl]methyl}thieno[2,3-d]pyrimidine [ACD/IUPAC Name]
4-Chloro-2-{[(2-chlorophényl)sulfanyl]méthyl}thiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine, 4-chloro-2-[[(2-chlorophenyl)thio]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 388.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 188.8±27.9 °C
Index of Refraction: 1.733
Molar Refractivity: 85.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3558.96
ACD/KOC (pH 5.5): 12123.57
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3558.99
ACD/KOC (pH 7.4): 12123.66
Polar Surface Area: 79 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 212.5±5.0 cm3

Click to predict properties on the Chemicalize site


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