ChemSpider 2D Image | N-[2-(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl]methanesulfonamide | C9H11N3O3S2

N-[2-(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl]methanesulfonamide

  • Molecular FormulaC9H11N3O3S2
  • Average mass273.332 Da
  • Monoisotopic mass273.024170 Da
  • ChemSpider ID39521721

More details:

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

Methanesulfonamide, N-[2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl]- [ACD/Index Name]
N-[2-(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl]methanesulfonamide [ACD/IUPAC Name]
N-[2-(4-Oxothiéno[3,2-d]pyrimidin-3(4H)-yl)éthyl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[2-(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl]methansulfonamid [German] [ACD/IUPAC Name]
1903286-89-4 [RN]
N-(2-(4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)ethyl)methanesulfonamide
N-(2-{4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}ethyl)methanesulfonamide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 490.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.7±31.5 °C
Index of Refraction: 1.710
Molar Refractivity: 67.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.57
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.57
Polar Surface Area: 115 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 68.5±7.0 dyne/cm
Molar Volume: 172.0±7.0 cm3

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