ChemSpider 2D Image | 2-Amino-1-[4-(methylsulfanyl)phenyl]-1-propanone | C10H13NOS

2-Amino-1-[4-(methylsulfanyl)phenyl]-1-propanone

  • Molecular FormulaC10H13NOS
  • Average mass195.281 Da
  • Monoisotopic mass195.071777 Da
  • ChemSpider ID24222872

More details:

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

1-Propanone, 2-amino-1-[4-(methylthio)phenyl]- [ACD/Index Name]
2-Amino-1-[4-(methylsulfanyl)phenyl]-1-propanon [German] [ACD/IUPAC Name]
2-Amino-1-[4-(methylsulfanyl)phenyl]-1-propanone [ACD/IUPAC Name]
2-Amino-1-[4-(méthylsulfanyl)phényl]-1-propanone [French] [ACD/IUPAC Name]
2-amino-1-(4-(methylthio)phenyl)propan-1-one
2-amino-1-[4-(methylsulfanyl)phenyl]propan-1-one
774535-63-6 [RN]
792187-95-2 [RN]
MFCD18811092

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 345.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 162.9±23.7 °C
Index of Refraction: 1.581
Molar Refractivity: 57.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 82.30
Polar Surface Area: 68 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 171.0±5.0 cm3

Click to predict properties on the Chemicalize site


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