ChemSpider 2D Image | (1R,2S)-3,3-Dimethyl-2-{[(3-phenoxybenzyl)sulfanyl]methyl}bicyclo[2.2.1]heptan-2-ol | C23H28O2S

(1R,2S)-3,3-Dimethyl-2-{[(3-phenoxybenzyl)sulfanyl]methyl}bicyclo[2.2.1]heptan-2-ol

  • Molecular FormulaC23H28O2S
  • Average mass368.532 Da
  • Monoisotopic mass368.181000 Da
  • ChemSpider ID24602410

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(1R,2S)-3,3-Dimethyl-2-{[(3-phenoxybenzyl)sulfanyl]methyl}bicyclo[2.2.1]heptan-2-ol [ACD/IUPAC Name]
(1R,2S)-3,3-Dimethyl-2-{[(3-phenoxybenzyl)sulfanyl]methyl}bicyclo[2.2.1]heptan-2-ol [German] [ACD/IUPAC Name]
(1R,2S)-3,3-Diméthyl-2-{[(3-phénoxybenzyl)sulfanyl]méthyl}bicyclo[2.2.1]heptan-2-ol [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-ol, 3,3-dimethyl-2-[[[(3-phenoxyphenyl)methyl]thio]methyl]-, (1R,2S)- [ACD/Index Name]
(3S)-2,2-dimethyl-3-[(3-phenoxyphenyl)methylsulfanylmethyl]bicyclo[2.2.1]heptan-3-ol
(6S)-5,5-DIMETHYL-6-[(3-PHENOXYPHENYL)METHYLSULFANYLMETHYL]BICYCLO[2.2.1]HEPTAN-6-OL
1220057-22-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 492.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 251.7±23.2 °C
Index of Refraction: 1.595
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12700.76
ACD/KOC (pH 5.5): 30137.68
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12700.76
ACD/KOC (pH 7.4): 30137.68
Polar Surface Area: 55 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 321.9±3.0 cm3

Click to predict properties on the Chemicalize site


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