ChemSpider 2D Image | N-[3-(Methylsulfanyl)propyl]tetrahydro-2H-thiopyran-3-amine | C9H19NS2

N-[3-(Methylsulfanyl)propyl]tetrahydro-2H-thiopyran-3-amine

  • Molecular FormulaC9H19NS2
  • Average mass205.384 Da
  • Monoisotopic mass205.095886 Da
  • ChemSpider ID44592603

More details:

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

2H-Thiopyran-3-amine, tetrahydro-N-[3-(methylthio)propyl]- [ACD/Index Name]
N-[3-(Methylsulfanyl)propyl]tetrahydro-2H-thiopyran-3-amin [German] [ACD/IUPAC Name]
N-[3-(Methylsulfanyl)propyl]tetrahydro-2H-thiopyran-3-amine [ACD/IUPAC Name]
N-[3-(Méthylsulfanyl)propyl]tétrahydro-2H-thiopyrane-3-amine [French] [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: 330.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 153.5±26.5 °C
Index of Refraction: 1.541
Molar Refractivity: 61.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.43
Polar Surface Area: 63 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 195.3±5.0 cm3

Click to predict properties on the Chemicalize site


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