ChemSpider 2D Image | 5(2H)-Pyrimidinethione | C4H4N2S

5(2H)-Pyrimidinethione

  • Molecular FormulaC4H4N2S
  • Average mass112.153 Da
  • Monoisotopic mass112.009521 Da
  • ChemSpider ID15771210

More details:

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

5(2H)-Pyrimidinethione [ACD/Index Name] [ACD/IUPAC Name]
5(2H)-Pyrimidinethione [French] [ACD/Index Name] [ACD/IUPAC Name]
5(2H)-Pyrimidinthion [German] [ACD/IUPAC Name]
220561-00-2 [RN]
2H-PYRIMIDINE-5-THIONE
5(2h)pyrimidinethione
5(2H)-Pyrimidinethione (9CI)
MFCD28045814
Pyrimidine-5(2H)-thione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 185.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.5±3.0 kJ/mol
Flash Point: 60.0±30.4 °C
Index of Refraction: 1.663
Molar Refractivity: 31.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.18
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.19
Polar Surface Area: 57 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 86.0±7.0 cm3

Click to predict properties on the Chemicalize site


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