ChemSpider 2D Image | N~2~,N~2~,2-Trimethyl-N~1~-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,2-propanediamine | C14H24N2S2

N2,N2,2-Trimethyl-N1-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,2-propanediamine

  • Molecular FormulaC14H24N2S2
  • Average mass284.484 Da
  • Monoisotopic mass284.138092 Da
  • ChemSpider ID47534457

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,2-Propanediamine, N1-[(6S)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-yl]-N2,N2,2-trimethyl- [ACD/Index Name]
N2,N2,2-Trimethyl-N1-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,2-propandiamin [German] [ACD/IUPAC Name]
N2,N2,2-Trimethyl-N1-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,2-propanediamine [ACD/IUPAC Name]
N2,N2,2-Triméthyl-N1-[(6S)-6-méthyl-5,6-dihydro-4H-thiéno[2,3-b]thiopyrane-4-yl]-1,2-propanediamine [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: 371.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 178.2±27.9 °C
Index of Refraction: 1.579
Molar Refractivity: 84.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 9.90
Polar Surface Area: 69 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 254.9±5.0 cm3

Click to predict properties on the Chemicalize site


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