Found 72 results

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

4-[(4-Chlorobenzyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile

  • Molecular FormulaC19H14Cl2N4S
  • Average mass401.312 Da
  • Monoisotopic mass400.031616 Da
  • ChemSpider ID22484276

More details:

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

4-[(4-Chlorbenzyl)amino]-6-(4-chlorphenyl)-2-(methylsulfanyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-[(4-Chlorobenzyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-[(4-Chlorobenzyl)amino]-6-(4-chlorophényl)-2-(méthylsulfanyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-(4-chlorophenyl)-6-[[(4-chlorophenyl)methyl]amino]-2-(methylthio)- [ACD/Index Name]
1049133-53-0 [RN]
4-(4-chlorophenyl)-6-[(4-chlorophenyl)methylamino]-2-methylsulfanylpyrimidine-5-carbonitrile
4-(4-CHLOROPHENYL)-6-{[(4-CHLOROPHENYL)METHYL]AMINO}-2-(METHYLSULFANYL)PYRIMIDINE-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: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16069.60
ACD/KOC (pH 5.5): 35664.96
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16070.09
ACD/KOC (pH 7.4): 35666.06
Polar Surface Area: 87 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 280.5±5.0 cm3

Click to predict properties on the Chemicalize site


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