ChemSpider 2D Image | 1-(4-Iodophenyl)-4,4,6-trimethyl-3,4-dihydro-2(1H)-pyrimidinethione | C13H15IN2S

1-(4-Iodophenyl)-4,4,6-trimethyl-3,4-dihydro-2(1H)-pyrimidinethione

  • Molecular FormulaC13H15IN2S
  • Average mass358.241 Da
  • Monoisotopic mass358.000061 Da
  • ChemSpider ID28604138

More details:

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

1-(4-Iodophenyl)-4,4,6-trimethyl-3,4-dihydro-2(1H)-pyrimidinethione [ACD/IUPAC Name]
1-(4-Iodophényl)-4,4,6-triméthyl-3,4-dihydro-2(1H)-pyrimidinethione [French] [ACD/IUPAC Name]
1-(4-Iodphenyl)-4,4,6-trimethyl-3,4-dihydro-2(1H)-pyrimidinthion [German] [ACD/IUPAC Name]
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(4-iodophenyl)-4,4,6-trimethyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 387.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.3±30.7 °C
Index of Refraction: 1.656
Molar Refractivity: 84.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 11.86
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 11.86
Polar Surface Area: 54 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 229.4±7.0 cm3

Click to predict properties on the Chemicalize site


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