ChemSpider 2D Image | tert-butyl 2-thia-8-azaspiro[4.5]decane-8-carboxylate | C13H23NO2S

tert-butyl 2-thia-8-azaspiro[4.5]decane-8-carboxylate

  • Molecular FormulaC13H23NO2S
  • Average mass257.392 Da
  • Monoisotopic mass257.144958 Da
  • ChemSpider ID44209909

More details:

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

1679336-62-9 [RN]
2-Methyl-2-propanyl 2-thia-8-azaspiro[4.5]decane-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-thia-8-azaspiro[4.5]decan-8-carboxylat [German] [ACD/IUPAC Name]
2-Thia-8-azaspiro[4.5]décane-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Thia-8-azaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 2-thia-8-azaspiro[4.5]decane-8-carboxylate
MFCD28113988

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

Density: 1.1±0.1 g/cm3
Boiling Point: 361.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 172.3±25.9 °C
Index of Refraction: 1.537
Molar Refractivity: 71.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.70
ACD/KOC (pH 5.5): 1169.80
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.70
ACD/KOC (pH 7.4): 1169.80
Polar Surface Area: 55 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 230.4±5.0 cm3

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