ChemSpider 2D Image | 1-(3,4-Dihydro-2H-thiochromen-8-yloxy)-3-{[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]amino}-2-propanol | C16H16D9NO2S

1-(3,4-Dihydro-2H-thiochromen-8-yloxy)-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanol

  • Molecular FormulaC16H16D9NO2S
  • Average mass304.496 Da
  • Monoisotopic mass304.217102 Da
  • ChemSpider ID48062338

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3,4-Dihydro-2H-thiochromen-8-yloxy)-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanol [German] [ACD/IUPAC Name]
1-(3,4-Dihydro-2H-thiochromen-8-yloxy)-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanol [ACD/IUPAC Name]
1-(3,4-Dihydro-2H-thiochromén-8-yloxy)-3-{[2-(2H3)méthyl(2H6)-2-propanyl]amino}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]-3-[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]- [ACD/Index Name]
1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-2-ol
1795037-66-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 465.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 235.0±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 3.38
ACD/KOC (pH 7.4): 21.33
Polar Surface Area: 67 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 265.5±3.0 cm3

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