ChemSpider 2D Image | 1-[3-(Methylsulfanyl)phenyl]-2-propanamine | C10H15NS

1-[3-(Methylsulfanyl)phenyl]-2-propanamine

  • Molecular FormulaC10H15NS
  • Average mass181.298 Da
  • Monoisotopic mass181.092514 Da
  • ChemSpider ID60616942

More details:






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

1-[3-(Methylsulfanyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[3-(Methylsulfanyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[3-(Méthylsulfanyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-methyl-3-(methylthio)- [ACD/Index Name]
1336087-72-9 [RN]
1336686-22-6 [RN]
595606-62-5 [RN]
MFCD20710965

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

Density: 1.0±0.1 g/cm3
Boiling Point: 286.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 126.8±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): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.51
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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