ChemSpider 2D Image | tert-Butyl 3-((pyridin-4-ylthio)methyl)pyrrolidine-1-carboxylate | C15H22N2O2S

tert-Butyl 3-((pyridin-4-ylthio)methyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC15H22N2O2S
  • Average mass294.412 Da
  • Monoisotopic mass294.140198 Da
  • ChemSpider ID28539165

More details:

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

1353977-06-6 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(4-pyridinylthio)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(4-pyridinylsulfanyl)methyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(4-pyridinylsulfanyl)methyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-[(4-Pyridinylsulfanyl)méthyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-((pyridin-4-ylthio)methyl)pyrrolidine-1-carboxylate
3-(Pyridin-4-ylsulfanylmethyl)-pyrr olidine-1-carboxylic acid tert-buty l ester
3-(Pyridin-4-ylsulfanylmethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
3-(Pyridin-4-ylsulfanylmethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
MFCD21099121 [MDL number]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 206.4±20.4 °C
Index of Refraction: 1.566
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 79.04
ACD/KOC (pH 5.5): 741.04
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.65
ACD/KOC (pH 7.4): 943.61
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


Advertisement