ChemSpider 2D Image | 6-Isobutyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C9H11N3OS

6-Isobutyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC9H11N3OS
  • Average mass209.268 Da
  • Monoisotopic mass209.062286 Da
  • ChemSpider ID30657507

More details:

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

5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-6-(2-methylpropyl)-4-oxo-2-thioxo- [ACD/Index Name]
6-Isobutyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
6-Isobutyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
6-Isobutyl-4-oxo-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 55.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 42.03
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.47
Polar Surface Area: 97 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 164.2±5.0 cm3

Click to predict properties on the Chemicalize site


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