ChemSpider 2D Image | 4-{[6-Chloro-5-formyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenesulfonamide | C12H11ClN4O3S2

4-{[6-Chloro-5-formyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenesulfonamide

  • Molecular FormulaC12H11ClN4O3S2
  • Average mass358.824 Da
  • Monoisotopic mass357.996094 Da
  • ChemSpider ID25058391

More details:

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

4-{[6-Chlor-5-formyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[6-Chloro-5-formyl-2-(methylsulfanyl)-4-pyrimidinyl]amino}benzenesulfonamide [ACD/IUPAC Name]
4-{[6-Chloro-5-formyl-2-(méthylsulfanyl)-4-pyrimidinyl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide
Benzenesulfonamide, 4-[[6-chloro-5-formyl-2-(methylthio)-4-pyrimidinyl]amino]- [ACD/Index Name]
J43

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

Density: 1.6±0.1 g/cm3
Boiling Point: 577.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.1±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.64
ACD/KOC (pH 5.5): 791.61
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.11
ACD/KOC (pH 7.4): 786.29
Polar Surface Area: 149 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 90.0±5.0 dyne/cm
Molar Volume: 220.6±5.0 cm3

Click to predict properties on the Chemicalize site


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