ChemSpider 2D Image | 2,5a-Dimethyl-4-sulfanyl-5,5a,6,7,10,11-hexahydro-4H-[1]benzofuro[4,5-h]isochromen-6-ol | C17H20O3S

2,5a-Dimethyl-4-sulfanyl-5,5a,6,7,10,11-hexahydro-4H-[1]benzofuro[4,5-h]isochromen-6-ol

  • Molecular FormulaC17H20O3S
  • Average mass304.404 Da
  • Monoisotopic mass304.113312 Da
  • ChemSpider ID28586383

More details:

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

2,5a-Dimethyl-4-sulfanyl-5,5a,6,7,10,11-hexahydro-4H-[1]benzofuro[4,5-h]isochromen-6-ol [German] [ACD/IUPAC Name]
2,5a-Dimethyl-4-sulfanyl-5,5a,6,7,10,11-hexahydro-4H-[1]benzofuro[4,5-h]isochromen-6-ol [ACD/IUPAC Name]
2,5a-Diméthyl-4-sulfanyl-5,5a,6,7,10,11-hexahydro-4H-[1]benzofuro[4,5-h]isochromén-6-ol [French] [ACD/IUPAC Name]
4H-Furo[3',2':5,6]naphtho[1,2-c]pyran-6-ol, 5,5a,6,7,10,11-hexahydro-4-mercapto-2,5a-dimethyl- [ACD/Index Name]
83305-95-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.3±28.7 °C
Index of Refraction: 1.633
Molar Refractivity: 83.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.45
ACD/KOC (pH 5.5): 909.33
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.11
ACD/KOC (pH 7.4): 906.07
Polar Surface Area: 81 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 233.8±5.0 cm3

Click to predict properties on the Chemicalize site


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