ChemSpider 2D Image | MFCD09867787 | C15H18O2S

MFCD09867787

  • Molecular FormulaC15H18O2S
  • Average mass262.367 Da
  • Monoisotopic mass262.102753 Da
  • ChemSpider ID22898583

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,7aR)-3a-Methyl-7a-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzothiophen-2,2-dioxid [German] [ACD/IUPAC Name]
(3aR,7aR)-3a-Methyl-7a-phenyl-1,3,3a,4,7,7a-hexahydro-2-benzothiophene 2,2-dioxide [ACD/IUPAC Name]
1217461-01-2 [RN]
2,2-Dioxyde de (3aR,7aR)-3a-méthyl-7a-phényl-1,3,3a,4,7,7a-hexahydro-2-benzothiophène [French] [ACD/IUPAC Name]
Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-3a-methyl-7a-phenyl-, 2,2-dioxide, (3aR,7aR)- [ACD/Index Name]
MFCD09867787

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

Density: 1.2±0.1 g/cm3
Boiling Point: 419.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 249.7±21.4 °C
Index of Refraction: 1.598
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.62
ACD/KOC (pH 5.5): 617.79
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.62
ACD/KOC (pH 7.4): 617.79
Polar Surface Area: 43 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 214.2±3.0 cm3

Click to predict properties on the Chemicalize site


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