Found 72 results

Search term: MF = 'C_{19}H_{14}Cl_{2}N_{4}S'
ChemSpider 2D Image | 4-[(3,5-Dichlorophenyl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile | C19H14Cl2N4S

4-[(3,5-Dichlorophenyl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile

  • Molecular FormulaC19H14Cl2N4S
  • Average mass401.312 Da
  • Monoisotopic mass400.031616 Da
  • ChemSpider ID22484287

More details:

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

4-[(3,5-Dichlorophenyl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-[(3,5-Dichlorophényl)amino]-6-(4-méthylphényl)-2-(méthylsulfanyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-[(3,5-Dichlorphenyl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-[(3,5-dichlorophenyl)amino]-6-(4-methylphenyl)-2-(methylthio)- [ACD/Index Name]
4-(3,5-dichloroanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.6±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 53750.79
ACD/KOC (pH 5.5): 84642.03
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 53753.15
ACD/KOC (pH 7.4): 84645.75
Polar Surface Area: 87 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 280.0±5.0 cm3

Click to predict properties on the Chemicalize site


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