Found 12 results

Search term: MF = 'C_{27}H_{20}OS'
ChemSpider 2D Image | (1S)-2-Methyl-2,3-dihydrodispiro[cyclopenta[a]naphthalene-1,2'-thiirane-3',9''-xanthene] | C27H20OS

(1S)-2-Methyl-2,3-dihydrodispiro[cyclopenta[a]naphthalene-1,2'-thiirane-3',9''-xanthene]

  • Molecular FormulaC27H20OS
  • Average mass392.512 Da
  • Monoisotopic mass392.123474 Da
  • ChemSpider ID30651239

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-2-Methyl-2,3-dihydrodispiro[cyclopenta[a]naphthalene-1,2'-thiirane-3',9''-xanthene] [ACD/IUPAC Name]
Dispiro[1H-benz[e]indene-1,2'-thiirane-3',9''-[9H]xanthene], 2,3-dihydro-2-methyl-, (1S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 291.6±30.1 °C
Index of Refraction: 1.776
Molar Refractivity: 120.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.13
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 823036.50
ACD/KOC (pH 5.5): 596796.75
ACD/LogD (pH 7.4): 8.09
ACD/BCF (pH 7.4): 823036.50
ACD/KOC (pH 7.4): 596796.75
Polar Surface Area: 35 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 288.3±5.0 cm3

Click to predict properties on the Chemicalize site


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