ChemSpider 2D Image | (1S,2R)-2-Amino-1-[4-(ethylsulfanyl)phenyl]-1-propanol | C11H17NOS

(1S,2R)-2-Amino-1-[4-(ethylsulfanyl)phenyl]-1-propanol

  • Molecular FormulaC11H17NOS
  • Average mass211.324 Da
  • Monoisotopic mass211.103088 Da
  • ChemSpider ID75176165

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-Amino-1-[4-(ethylsulfanyl)phenyl]-1-propanol [German] [ACD/IUPAC Name]
(1S,2R)-2-Amino-1-[4-(ethylsulfanyl)phenyl]-1-propanol [ACD/IUPAC Name]
(1S,2R)-2-Amino-1-[4-(éthylsulfanyl)phényl]-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1R)-1-aminoethyl]-4-(ethylthio)-, (αS)- [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: 374.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 180.1±25.1 °C
Index of Refraction: 1.583
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.90
Polar Surface Area: 72 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 188.5±5.0 cm3

Click to predict properties on the Chemicalize site


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