ChemSpider 2D Image | 5-Chloro-N-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)-2-(methylsulfanyl)-4-pyrimidinecarboxamide | C11H14ClN3O3S2

5-Chloro-N-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)-2-(methylsulfanyl)-4-pyrimidinecarboxamide

  • Molecular FormulaC11H14ClN3O3S2
  • Average mass335.830 Da
  • Monoisotopic mass335.016510 Da
  • ChemSpider ID26201946

More details:

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

4-Pyrimidinecarboxamide, 5-chloro-2-(methylthio)-N-(tetrahydro-3-methyl-1,1-dioxido-3-thienyl)- [ACD/Index Name]
5-Chlor-N-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)-2-(methylsulfanyl)-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-(3-methyl-1,1-dioxidotetrahydro-3-thiophenyl)-2-(methylsulfanyl)-4-pyrimidinecarboxamide [ACD/IUPAC Name]
5-Chloro-N-(3-méthyl-1,1-dioxydotétrahydro-3-thiophényl)-2-(méthylsulfanyl)-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
1099947-73-5 [RN]
5-chloro-N-(3-methyl-1,1-dioxo-1λ6-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 612.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.3±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 48.67
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.54
Polar Surface Area: 123 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 221.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement