ChemSpider 2D Image | N-[3-(Methylsulfanyl)phenyl]tetrahydro-2H-thiopyran-4-amine | C12H17NS2

N-[3-(Methylsulfanyl)phenyl]tetrahydro-2H-thiopyran-4-amine

  • Molecular FormulaC12H17NS2
  • Average mass239.400 Da
  • Monoisotopic mass239.080246 Da
  • ChemSpider ID28147031

More details:

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

2H-Thiopyran-4-amine, tetrahydro-N-[3-(methylthio)phenyl]- [ACD/Index Name]
N-[3-(Methylsulfanyl)phenyl]tetrahydro-2H-thiopyran-4-amin [German] [ACD/IUPAC Name]
N-[3-(Methylsulfanyl)phenyl]tetrahydro-2H-thiopyran-4-amine [ACD/IUPAC Name]
N-[3-(Méthylsulfanyl)phényl]tétrahydro-2H-thiopyrane-4-amine [French] [ACD/IUPAC Name]
1153289-97-4 [RN]
MFCD12187449
N-[3-(methylsulfanyl)phenyl]thian-4-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 405.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 198.8±27.3 °C
Index of Refraction: 1.618
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 200.97
ACD/KOC (pH 5.5): 1511.47
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 219.06
ACD/KOC (pH 7.4): 1647.56
Polar Surface Area: 63 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 205.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement