ChemSpider 2D Image | 2-[(4-Chlorobenzyl)sulfanyl]-3-hexyl-6-hydroxy-4(3H)-pyrimidinone | C17H21ClN2O2S

2-[(4-Chlorobenzyl)sulfanyl]-3-hexyl-6-hydroxy-4(3H)-pyrimidinone

  • Molecular FormulaC17H21ClN2O2S
  • Average mass352.879 Da
  • Monoisotopic mass352.101227 Da
  • ChemSpider ID21682145

More details:

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

2-[(4-Chlorbenzyl)sulfanyl]-3-hexyl-6-hydroxy-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
2-[(4-Chlorobenzyl)sulfanyl]-3-hexyl-6-hydroxy-4(3H)-pyrimidinone [ACD/IUPAC Name]
2-[(4-Chlorobenzyl)sulfanyl]-3-hexyl-6-hydroxy-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 2-[[(4-chlorophenyl)methyl]thio]-3-hexyl-6-hydroxy- [ACD/Index Name]
2-(4-Chloro-benzylsulfanyl)-3-hexyl-6-hydroxy-3H-pyrimidin-4-one
2-[(4-chlorobenzyl)sulfanyl]-3-hexyl-6-hydroxypyrimidin-4(3H)-one
2-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-3-HEXYL-6-HYDROXYPYRIMIDIN-4-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 244.9±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 34.72
ACD/KOC (pH 5.5): 205.09
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.71
Polar Surface Area: 78 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 282.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement