ChemSpider 2D Image | TERT-BUTYL 3-(PYRIDIN-2-YLSULFANYL)PIPERIDINE-1-CARBOXYLATE | C15H22N2O2S

TERT-BUTYL 3-(PYRIDIN-2-YLSULFANYL)PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC15H22N2O2S
  • Average mass294.412 Da
  • Monoisotopic mass294.140198 Da
  • ChemSpider ID24765317

More details:

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

1,1-Dimethylethyl 3-(2-pyridinylthio)-1-piperidinecarboxylate
1159982-28-1 [RN]
1-Piperidinecarboxylic acid, 3-(2-pyridinylthio)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(2-pyridinylsulfanyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2-pyridinylsulfanyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-(2-Pyridinylsulfanyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-(PYRIDIN-2-YLSULFANYL)PIPERIDINE-1-CARBOXYLATE
3-(Pyridin-2-ylsulfanyl)-piperidine -1-carboxylic acid tert-butyl ester
3-(Pyridin-2-ylsulfanyl)piperidine-1-carboxylic acid tert-butyl ester
3-(Pyridin-2-ylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 418.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.9±25.9 °C
Index of Refraction: 1.566
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 127.61
ACD/KOC (pH 5.5): 1118.61
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 127.94
ACD/KOC (pH 7.4): 1121.53
Polar Surface Area: 68 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 252.9±5.0 cm3

Click to predict properties on the Chemicalize site


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