ChemSpider 2D Image | Elsibucol | C35H54O4S2

Elsibucol

  • Molecular FormulaC35H54O4S2
  • Average mass602.931 Da
  • Monoisotopic mass602.346375 Da
  • ChemSpider ID8394224

More details:

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

216167-95-2 [RN]
4-(4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-1-methylethyl)thio)-2,6-bis(1,1-dimethylethyl)phenoxy)butanoic acid
4-{4-[(2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfanyl}-2-propanyl)sulfanyl]-2,6-bis(2-methyl-2-propanyl)phenoxy}butanoic acid [ACD/IUPAC Name]
4-{4-[(2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfanyl}-2-propanyl)sulfanyl]-2,6-bis(2-methyl-2-propanyl)phenoxy}butansäure [German] [ACD/IUPAC Name]
Acide 4-{4-[(2-{[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]sulfanyl}-2-propanyl)sulfanyl]-2,6-bis(2-méthyl-2-propanyl)phénoxy}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]- [ACD/Index Name]
Elsibucol [USAN]
O7T92N1Y8T
4-(2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenoxy)butanoic acid
4-[2,6-ditert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-methylethyl]thio]phenoxy]butanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8581 [DBID]
AGI-1096 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 661.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.0±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 178.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 11.68
ACD/LogD (pH 5.5): 9.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1239840.13
ACD/LogD (pH 7.4): 7.67
ACD/BCF (pH 7.4): 86220.27
ACD/KOC (pH 7.4): 19471.17
Polar Surface Area: 117 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 547.5±5.0 cm3

Click to predict properties on the Chemicalize site


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