ChemSpider 2D Image | Dimethyl (2S,2'S)-2,2'-[(1-oxo-2-thioxo-1,2-ethanediyl)diimino]bis(4-methylpentanoate) | C16H28N2O5S

Dimethyl (2S,2'S)-2,2'-[(1-oxo-2-thioxo-1,2-ethanediyl)diimino]bis(4-methylpentanoate)

  • Molecular FormulaC16H28N2O5S
  • Average mass360.469 Da
  • Monoisotopic mass360.171906 Da
  • ChemSpider ID24730457

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-2,2'-[(1-Oxo-2-thioxo-1,2-éthanediyl)diimino]bis(4-méthylpentanoate) de diméthyle [French] [ACD/IUPAC Name]
Dimethyl (2S,2'S)-2,2'-[(1-oxo-2-thioxo-1,2-ethanediyl)diimino]bis(4-methylpentanoate) [ACD/IUPAC Name]
Dimethyl-(2S,2'S)-2,2'-[(1-oxo-2-thioxo-1,2-ethandiyl)diimino]bis(4-methylpentanoat) [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.498
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 63.49
ACD/KOC (pH 5.5): 679.09
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.72
ACD/KOC (pH 7.4): 649.44
Polar Surface Area: 126 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

Click to predict properties on the Chemicalize site


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