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Found 1 result

Search term: NQILNWCMLLLUMI (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-[(2-Methylbenzyl)sulfanyl]-N-(1-oxaspiro[4.5]dec-3-yl)acetamide | C19H27NO2S

2-[(2-Methylbenzyl)sulfanyl]-N-(1-oxaspiro[4.5]dec-3-yl)acetamide

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID53578473

More details:






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

2-[(2-Methylbenzyl)sulfanyl]-N-(1-oxaspiro[4.5]dec-3-yl)acetamid [German] [ACD/IUPAC Name]
2-[(2-Methylbenzyl)sulfanyl]-N-(1-oxaspiro[4.5]dec-3-yl)acetamide [ACD/IUPAC Name]
2-[(2-Méthylbenzyl)sulfanyl]-N-(1-oxaspiro[4.5]déc-3-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[(2-methylphenyl)methyl]thio]-N-1-oxaspiro[4.5]dec-3-yl- [ACD/Index Name]
2-[(2-methylbenzyl)thio]-N-1-oxaspiro[4.5]dec-3-ylacetamide
2-{[(2-METHYLPHENYL)METHYL]SULFANYL}-N-{1-OXASPIRO[4.5]DECAN-3-YL}ACETAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.5±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 950.83
ACD/KOC (pH 5.5): 4713.31
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 950.83
ACD/KOC (pH 7.4): 4713.31
Polar Surface Area: 64 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 290.6±5.0 cm3

Click to predict properties on the Chemicalize site






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