ChemSpider 2D Image | 6-Amino-4-(3,5-difluoro-2-nitrophenyl)-4-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C12H9F2N5O2S

6-Amino-4-(3,5-difluoro-2-nitrophenyl)-4-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC12H9F2N5O2S
  • Average mass325.294 Da
  • Monoisotopic mass325.044495 Da
  • ChemSpider ID102576175

More details:






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

5-Pyrimidinecarbonitrile, 6-amino-4-(3,5-difluoro-2-nitrophenyl)-1,2,3,4-tetrahydro-4-methyl-2-thioxo- [ACD/Index Name]
6-Amino-4-(3,5-difluor-2-nitrophenyl)-4-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
6-Amino-4-(3,5-difluoro-2-nitrophenyl)-4-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
6-Amino-4-(3,5-difluoro-2-nitrophényl)-4-méthyl-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 546.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 76.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.81
ACD/KOC (pH 5.5): 136.62
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.79
ACD/KOC (pH 7.4): 136.29
Polar Surface Area: 152 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 202.1±5.0 cm3

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