ChemSpider 2D Image | 3-Allyl-1-benzyl-1-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]thiourea | C26H36N2OS

3-Allyl-1-benzyl-1-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]thiourea

  • Molecular FormulaC26H36N2OS
  • Average mass424.642 Da
  • Monoisotopic mass424.254822 Da
  • ChemSpider ID28279374

More details:

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

3-Allyl-1-benzyl-1-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]thioharnstoff [German] [ACD/IUPAC Name]
3-Allyl-1-benzyl-1-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]thiourea [ACD/IUPAC Name]
3-Allyl-1-benzyl-1-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)benzyl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-N-(phenylmethyl)-N'-2-propen-1-yl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 509.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 261.6±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 119310.39
ACD/KOC (pH 5.5): 149782.58
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 119307.12
ACD/KOC (pH 7.4): 149778.47
Polar Surface Area: 68 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 396.9±3.0 cm3

Click to predict properties on the Chemicalize site


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