ChemSpider 2D Image | 5-Nitro-N~2~-(tetrahydro-2H-thiopyran-3-yl)-2,4-pyrimidinediamine | C9H13N5O2S

5-Nitro-N2-(tetrahydro-2H-thiopyran-3-yl)-2,4-pyrimidinediamine

  • Molecular FormulaC9H13N5O2S
  • Average mass255.297 Da
  • Monoisotopic mass255.078995 Da
  • ChemSpider ID30279594

More details:

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

2,4-Pyrimidinediamine, 5-nitro-N2-(tetrahydro-2H-thiopyran-3-yl)- [ACD/Index Name]
5-Nitro-N2-(tetrahydro-2H-thiopyran-3-yl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Nitro-N2-(tetrahydro-2H-thiopyran-3-yl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Nitro-N2-(tétrahydro-2H-thiopyrane-3-yl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 533.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.2±32.9 °C
Index of Refraction: 1.716
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.30
ACD/KOC (pH 5.5): 184.69
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.32
ACD/KOC (pH 7.4): 185.05
Polar Surface Area: 135 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 83.8±3.0 dyne/cm
Molar Volume: 171.4±3.0 cm3

Click to predict properties on the Chemicalize site


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