ChemSpider 2D Image | {[4-(Hexadecylamino)phenyl]sulfanyl}acetic acid | C24H41NO2S

{[4-(Hexadecylamino)phenyl]sulfanyl}acetic acid

  • Molecular FormulaC24H41NO2S
  • Average mass407.653 Da
  • Monoisotopic mass407.285797 Da
  • ChemSpider ID23128109

More details:

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

{[4-(Hexadecylamino)phenyl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[4-(Hexadecylamino)phenyl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[4-(hexadecylamino)phenyl]thio]- [ACD/Index Name]
Acide {[4-(hexadécylamino)phényl]sulfanyl}acétique [French] [ACD/IUPAC Name]
(4-Hexadecylamino-phenylsulfanyl)-acetic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL416762/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 549.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 286.2±25.9 °C
Index of Refraction: 1.530
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 9.13
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 78060.06
ACD/KOC (pH 5.5): 31636.60
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 2267.17
ACD/KOC (pH 7.4): 918.85
Polar Surface Area: 75 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 399.4±5.0 cm3

Click to predict properties on the Chemicalize site


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