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

tert-Butyl 2-((pyridin-2-ylthio)methyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC15H22N2O2S
  • Average mass294.412 Da
  • Monoisotopic mass294.140198 Da
  • ChemSpider ID28304012

More details:

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

1353967-38-0 [RN]
1-Pyrrolidinecarboxylic acid, 2-[(2-pyridinylthio)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-[(2-Pyridinylsulfanyl)méthyl]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[(2-pyridinylsulfanyl)methyl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[(2-pyridinylsulfanyl)methyl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-Butyl 2-((pyridin-2-ylthio)methyl)pyrrolidine-1-carboxylate
2-(Pyridin-2-ylsulfanylmethyl)-pyrr olidine-1-carboxylic acid tert-buty l ester
2-(Pyridin-2-ylsulfanylmethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
2-(Pyridin-2-ylsulfanylmethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
MFCD21099086 [MDL number]
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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: 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: 2.71
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.77
ACD/KOC (pH 5.5): 1144.38
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 132.21
ACD/KOC (pH 7.4): 1148.17
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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