Found 11 results

Search term: MF = 'C_{26}H_{28}O_{2}S_{2}'
ChemSpider 2D Image | (3aS,3bR,6aR,7aR)-2,2,3b-Trimethyl-7,7-bis(phenylsulfanyl)hexahydro-1H-cyclopenta[a]pentalene-3,4(2H,3aH)-dione | C26H28O2S2

(3aS,3bR,6aR,7aR)-2,2,3b-Trimethyl-7,7-bis(phenylsulfanyl)hexahydro-1H-cyclopenta[a]pentalene-3,4(2H,3aH)-dione

  • Molecular FormulaC26H28O2S2
  • Average mass436.629 Da
  • Monoisotopic mass436.153076 Da
  • ChemSpider ID74091616

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,3bR,6aR,7aR)-2,2,3b-Trimethyl-7,7-bis(phenylsulfanyl)hexahydro-1H-cyclopenta[a]pentalen-3,4(2H,3aH)-dion [German] [ACD/IUPAC Name]
(3aS,3bR,6aR,7aR)-2,2,3b-Trimethyl-7,7-bis(phenylsulfanyl)hexahydro-1H-cyclopenta[a]pentalene-3,4(2H,3aH)-dione [ACD/IUPAC Name]
(3aS,3bR,6aR,7aR)-2,2,3b-Triméthyl-7,7-bis(phénylsulfanyl)hexahydro-1H-cyclopenta[a]pentalène-3,4(2H,3aH)-dione [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]pentalene-3,4(2H,3aH)-dione, hexahydro-2,2,3b-trimethyl-7,7-bis(phenylthio)-, (3aS,3bR,6aR,7aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 585.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 240.1±20.2 °C
Index of Refraction: 1.650
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7604.92
ACD/KOC (pH 5.5): 20877.49
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7604.92
ACD/KOC (pH 7.4): 20877.49
Polar Surface Area: 85 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 346.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement