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

N,N-Dimethyl-N'-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,4-butanediamine

  • Molecular FormulaC14H24N2S2
  • Average mass284.484 Da
  • Monoisotopic mass284.138092 Da
  • ChemSpider ID47539182

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,4-Butanediamine, N4-[(6S)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-yl]-N1,N1-dimethyl- [ACD/Index Name]
N,N-Dimethyl-N'-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,4-butandiamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-N'-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]-1,4-butanediamine [ACD/IUPAC Name]
N,N-Diméthyl-N'-[(6S)-6-méthyl-5,6-dihydro-4H-thiéno[2,3-b]thiopyrane-4-yl]-1,4-butanediamine [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: 384.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.4±27.9 °C
Index of Refraction: 1.580
Molar Refractivity: 84.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.45
Polar Surface Area: 69 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 254.5±5.0 cm3

Click to predict properties on the Chemicalize site


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