ChemSpider 2D Image | 6-(2,4-Dichlorophenyl)-2-oxo-4-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C11H5Cl2N3OS

6-(2,4-Dichlorophenyl)-2-oxo-4-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC11H5Cl2N3OS
  • Average mass298.148 Da
  • Monoisotopic mass296.953033 Da
  • ChemSpider ID64840562

More details:

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

5-Pyrimidinecarbonitrile, 6-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-2-oxo-4-thioxo- [ACD/Index Name]
6-(2,4-Dichlorophenyl)-2-oxo-4-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
6-(2,4-Dichlorophényl)-2-oxo-4-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
6-(2,4-Dichlorphenyl)-2-oxo-4-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
6-(2,4-dichlorophenyl)-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.98
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.76
Polar Surface Area: 97 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 180.1±5.0 cm3

Click to predict properties on the Chemicalize site


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