Found 3 results

Search term: OLEWMKVPSUCNLG (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2R)-1-[4-(Methylsulfanyl)phenyl]-2-propanamine | C10H15NS

(2R)-1-[4-(Methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC10H15NS
  • Average mass181.298 Da
  • Monoisotopic mass181.092514 Da
  • ChemSpider ID57643101
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1-[4-(Methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
(2R)-1-[4-(Methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
(2R)-1-[4-(Méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-methyl-4-(methylthio)-, (αR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 289.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 128.6±22.6 °C
Index of Refraction: 1.568
Molar Refractivity: 56.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 51 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 173.9±5.0 cm3

Click to predict properties on the Chemicalize site






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