ChemSpider 2D Image | (2S)-2-(5-Methyl-2-thienyl)propyl [(1S)-1-phenylethyl]carbamate | C17H21NO2S

(2S)-2-(5-Methyl-2-thienyl)propyl [(1S)-1-phenylethyl]carbamate

  • Molecular FormulaC17H21NO2S
  • Average mass303.419 Da
  • Monoisotopic mass303.129303 Da
  • ChemSpider ID30658585

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-(5-Methyl-2-thienyl)propyl [(1S)-1-phenylethyl]carbamate [ACD/IUPAC Name]
(2S)-2-(5-Methyl-2-thienyl)propyl-[(1S)-1-phenylethyl]carbamat [German] [ACD/IUPAC Name]
[(1S)-1-Phényléthyl]carbamate de (2S)-2-(5-méthyl-2-thiényl)propyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-phenylethyl]-, (2S)-2-(5-methyl-2-thienyl)propyl ester [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: 448.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.1±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1231.58
ACD/KOC (pH 5.5): 5672.23
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1231.54
ACD/KOC (pH 7.4): 5672.00
Polar Surface Area: 67 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 268.5±3.0 cm3

Click to predict properties on the Chemicalize site


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