ChemSpider 2D Image | 1,3,5-Trimethyl-2-[(S)-{2-[(R)-(2-methyl-2-propanyl)sulfinyl]phenyl}sulfinyl]benzene | C19H24O2S2

1,3,5-Trimethyl-2-[(S)-{2-[(R)-(2-methyl-2-propanyl)sulfinyl]phenyl}sulfinyl]benzene

  • Molecular FormulaC19H24O2S2
  • Average mass348.523 Da
  • Monoisotopic mass348.121765 Da
  • ChemSpider ID75572542
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,3,5-Trimethyl-2-[(S)-{2-[(R)-(2-methyl-2-propanyl)sulfinyl]phenyl}sulfinyl]benzene [ACD/IUPAC Name]
1,3,5-Triméthyl-2-[(S)-{2-[(R)-(2-méthyl-2-propanyl)sulfinyl]phényl}sulfinyl]benzène [French] [ACD/IUPAC Name]
1,3,5-Trimethyl-2-[(S)-{2-[(R)-(2-methyl-2-propanyl)sulfinyl]phenyl}sulfinyl]benzol [German] [ACD/IUPAC Name]
Benzene, 2-[(S)-[2-[(R)-[(1R)-1,1-dimethylethyl]sulfinyl]phenyl]sulfinyl]-1,3,5-trimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 536.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 278.3±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 243.18
ACD/KOC (pH 5.5): 1776.06
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 243.18
ACD/KOC (pH 7.4): 1776.06
Polar Surface Area: 73 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 284.0±5.0 cm3

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