ChemSpider 2D Image | N-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-nitro-4,6-pyrimidinediamine | C8H11N5O4S

N-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-nitro-4,6-pyrimidinediamine

  • Molecular FormulaC8H11N5O4S
  • Average mass273.269 Da
  • Monoisotopic mass273.053162 Da
  • ChemSpider ID21203213

More details:

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

4,6-Pyrimidinediamine, 5-nitro-N4-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-nitro-4,6-pyrimidindiamin [German] [ACD/IUPAC Name]
N-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-nitro-4,6-pyrimidinediamine [ACD/IUPAC Name]
N-(1,1-Dioxydotétrahydro-3-thiophényl)-5-nitro-4,6-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.2±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 60.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.05
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.09
Polar Surface Area: 152 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 90.4±3.0 dyne/cm
Molar Volume: 160.8±3.0 cm3

Click to predict properties on the Chemicalize site


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