ChemSpider 2D Image | S~1~,S~3~-Bis(2-methyl-2-propanyl) [(1R,2S)-2-methyl-3-oxocyclopentyl]propanebis(thioate) | C17H28O3S2

S1,S3-Bis(2-methyl-2-propanyl) [(1R,2S)-2-methyl-3-oxocyclopentyl]propanebis(thioate)

  • Molecular FormulaC17H28O3S2
  • Average mass344.532 Da
  • Monoisotopic mass344.147980 Da
  • ChemSpider ID30653073

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R,2S)-2-Méthyl-3-oxocyclopentyl]propanebis(thioate) de S1,S3-bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Propanebis(thioic acid), 2-[(1R,2S)-2-methyl-3-oxocyclopentyl]-, S1,S3-bis(1,1-dimethylethyl) ester [ACD/Index Name]
S1,S3-Bis(2-methyl-2-propanyl) [(1R,2S)-2-methyl-3-oxocyclopentyl]propanebis(thioate) [ACD/IUPAC Name]
S1,S3-Bis(2-methyl-2-propanyl)-[(1R,2S)-2-methyl-3-oxocyclopentyl]propanbis(thioat) [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: 436.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 173.3±11.8 °C
Index of Refraction: 1.520
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 687.21
ACD/KOC (pH 5.5): 3735.07
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 649.67
ACD/KOC (pH 7.4): 3531.05
Polar Surface Area: 102 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 311.6±3.0 cm3

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