ChemSpider 2D Image | 2-[(2-Methylbenzyl)sulfanyl]-1-(3-oxa-9-azaspiro[5.5]undec-9-yl)ethanone | C19H27NO2S

2-[(2-Methylbenzyl)sulfanyl]-1-(3-oxa-9-azaspiro[5.5]undec-9-yl)ethanone

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID35036649

More details:






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

2-[(2-Methylbenzyl)sulfanyl]-1-(3-oxa-9-azaspiro[5.5]undec-9-yl)ethanon [German] [ACD/IUPAC Name]
2-[(2-Methylbenzyl)sulfanyl]-1-(3-oxa-9-azaspiro[5.5]undec-9-yl)ethanone [ACD/IUPAC Name]
2-[(2-Méthylbenzyl)sulfanyl]-1-(3-oxa-9-azaspiro[5.5]undéc-9-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[(2-methylphenyl)methyl]thio]-1-(3-oxa-9-azaspiro[5.5]undec-9-yl)- [ACD/Index Name]
2-{[(2-METHYLPHENYL)METHYL]SULFANYL}-1-{3-OXA-9-AZASPIRO[5.5]UNDECAN-9-YL}ETHAN-1-ONE
2-{[(2-METHYLPHENYL)METHYL]SULFANYL}-1-{3-OXA-9-AZASPIRO[5.5]UNDECAN-9-YL}ETHANONE
9-{[(2-methylbenzyl)thio]acetyl}-3-oxa-9-azaspiro[5.5]undecane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 506.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.2±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.75
ACD/KOC (pH 5.5): 2018.33
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.75
ACD/KOC (pH 7.4): 2018.33
Polar Surface Area: 55 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 288.9±5.0 cm3

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