ChemSpider 2D Image | (1R)-5'-[(2-Chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one | C19H15ClO3S

(1R)-5'-[(2-Chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one

  • Molecular FormulaC19H15ClO3S
  • Average mass358.839 Da
  • Monoisotopic mass358.043030 Da
  • ChemSpider ID35035391

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-5'-[(2-Chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one [ACD/IUPAC Name]
(1R)-5'-[(2-Chlorophényl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one [French] [ACD/IUPAC Name]
(1R)-5'-[(2-Chlorphenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-on [German] [ACD/IUPAC Name]
Spiro[1H-indene-1,2'-[2H]pyran]-6'(3'H)-one, 5'-[(2-chlorophenyl)thio]-2,3-dihydro-4'-hydroxy-, (1R)- [ACD/Index Name]
49C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 538.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.5±30.1 °C
Index of Refraction: 1.705
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 177.47
ACD/KOC (pH 5.5): 717.70
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 12.38
Polar Surface Area: 72 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 245.6±5.0 cm3

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