ChemSpider 2D Image | {[4-(2-Pyridinyl)-2-pyrimidinyl]sulfanyl}acetic acid | C11H9N3O2S

{[4-(2-Pyridinyl)-2-pyrimidinyl]sulfanyl}acetic acid

  • Molecular FormulaC11H9N3O2S
  • Average mass247.273 Da
  • Monoisotopic mass247.041550 Da
  • ChemSpider ID30657139

More details:

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

{[4-(2-Pyridinyl)-2-pyrimidinyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[4-(2-Pyridinyl)-2-pyrimidinyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[4-(2-pyridinyl)-2-pyrimidinyl]thio]- [ACD/Index Name]
Acide {[4-(2-pyridinyl)-2-pyrimidinyl]sulfanyl}acétique [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: 491.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 251.0±24.6 °C
Index of Refraction: 1.673
Molar Refractivity: 63.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 170.1±5.0 cm3

Click to predict properties on the Chemicalize site


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