ChemSpider 2D Image | Methyl (2S)-3-(isopropylamino)-2-phenyl-3-thioxopropanoate | C13H17NO2S

Methyl (2S)-3-(isopropylamino)-2-phenyl-3-thioxopropanoate

  • Molecular FormulaC13H17NO2S
  • Average mass251.345 Da
  • Monoisotopic mass251.097992 Da
  • ChemSpider ID30658837

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(Isopropylamino)-2-phényl-3-thioxopropanoate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[(1-methylethyl)amino]thioxomethyl]-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-3-(isopropylamino)-2-phenyl-3-thioxopropanoate [ACD/IUPAC Name]
Methyl-(2S)-3-(isopropylamino)-2-phenyl-3-thioxopropanoat [German] [ACD/IUPAC 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: 349.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.1±30.7 °C
Index of Refraction: 1.555
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.00
ACD/KOC (pH 5.5): 1140.65
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.01
ACD/KOC (pH 7.4): 1140.68
Polar Surface Area: 70 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement