ChemSpider 2D Image | (3S)-Tetrahydro-2H-thiopyran-3-amine | C5H11NS

(3S)-Tetrahydro-2H-thiopyran-3-amine

  • Molecular FormulaC5H11NS
  • Average mass117.213 Da
  • Monoisotopic mass117.061218 Da
  • ChemSpider ID67966673

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-Tetrahydro-2H-thiopyran-3-amin [German] [ACD/IUPAC Name]
(3S)-Tetrahydro-2H-thiopyran-3-amine [ACD/IUPAC Name]
(3S)-Tétrahydro-2H-thiopyrane-3-amine [French] [ACD/IUPAC Name]
2H-Thiopyran-3-amine, tetrahydro-, (3S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 192.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.9±3.0 kJ/mol
Flash Point: 70.5±25.4 °C
Index of Refraction: 1.525
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 51 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 113.5±3.0 cm3

Click to predict properties on the Chemicalize site


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