ChemSpider 2D Image | 6-{[5-(3-Phenylpropyl)-2-thienyl]sulfanyl}hexanoic acid | C19H24O2S2

6-{[5-(3-Phenylpropyl)-2-thienyl]sulfanyl}hexanoic acid

  • Molecular FormulaC19H24O2S2
  • Average mass348.523 Da
  • Monoisotopic mass348.121765 Da
  • ChemSpider ID23193387

More details:






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

6-{[5-(3-Phenylpropyl)-2-thienyl]sulfanyl}hexanoic acid [ACD/IUPAC Name]
6-{[5-(3-Phenylpropyl)-2-thienyl]sulfanyl}hexansäure [German] [ACD/IUPAC Name]
6-{[5-(3-phenylpropyl)thiophen-2-yl]sulfanyl}hexanoic acid
Acide 6-{[5-(3-phénylpropyl)-2-thiényl]sulfanyl}hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[5-(3-phenylpropyl)-2-thienyl]thio]- [ACD/Index Name]
6-[5-(3-Phenyl-propyl)-thiophen-2-ylsulfanyl]-hexanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 507.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.5±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 1592.82
ACD/KOC (pH 5.5): 3974.24
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 25.39
ACD/KOC (pH 7.4): 63.35
Polar Surface Area: 91 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 295.4±5.0 cm3

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