Found 1 result

Search term: XXPYFOCNASVVFD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(2,3-Difluorobenzyl)sulfanyl]-4-hydroxy-6-isopropyl-5-pyrimidinecarbonitrile | C15H13F2N3OS

2-[(2,3-Difluorobenzyl)sulfanyl]-4-hydroxy-6-isopropyl-5-pyrimidinecarbonitrile

  • Molecular FormulaC15H13F2N3OS
  • Average mass321.345 Da
  • Monoisotopic mass321.074738 Da
  • ChemSpider ID58136051

More details:

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

2-[(2,3-Difluorbenzyl)sulfanyl]-4-hydroxy-6-isopropyl-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2-[(2,3-Difluorobenzyl)sulfanyl]-4-hydroxy-6-isopropyl-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
2-[(2,3-Difluorobenzyl)sulfanyl]-4-hydroxy-6-isopropyl-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 2-[[(2,3-difluorophenyl)methyl]thio]-4-hydroxy-6-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 259.0±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 79.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 19.05
ACD/KOC (pH 5.5): 129.72
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.61
Polar Surface Area: 95 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 231.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement