ChemSpider 2D Image | 2-(Dimethylamino)-1-phenyl-1-propanethiol | C11H17NS

2-(Dimethylamino)-1-phenyl-1-propanethiol

  • Molecular FormulaC11H17NS
  • Average mass195.324 Da
  • Monoisotopic mass195.108170 Da
  • ChemSpider ID75645704

More details:

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

2-(Dimethylamino)-1-phenyl-1-propanethiol [ACD/IUPAC Name]
2-(Diméthylamino)-1-phényl-1-propanethiol [French] [ACD/IUPAC Name]
2-(Dimethylamino)-1-phenyl-1-propanthiol [German] [ACD/IUPAC Name]
Benzenemethanethiol, α-[1-(dimethylamino)ethyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 266.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 115.2±25.4 °C
Index of Refraction: 1.544
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 5.28
ACD/KOC (pH 7.4): 50.49
Polar Surface Area: 42 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 194.2±3.0 cm3

Click to predict properties on the Chemicalize site


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