ChemSpider 2D Image | (4S)-8-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-4-thiochromanol | C16H25NO3S

(4S)-8-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-4-thiochromanol

  • Molecular FormulaC16H25NO3S
  • Average mass311.440 Da
  • Monoisotopic mass311.155518 Da
  • ChemSpider ID75585690

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-8-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-4-thiochromanol [German] [ACD/IUPAC Name]
(4S)-8-{2-Hydroxy-3-[(2-methyl-2-propanyl)amino]propoxy}-4-thiochromanol [ACD/IUPAC Name]
(4S)-8-{2-Hydroxy-3-[(2-méthyl-2-propanyl)amino]propoxy}-4-thiochromanol [French] [ACD/IUPAC Name]
2H-1-Benzothiopyran-4-ol, 8-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-, (4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 504.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.40
Polar Surface Area: 87 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 262.5±3.0 cm3

Click to predict properties on the Chemicalize site


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