ChemSpider 2D Image | tert-Butyl 2-(((3-cyanopyridin-2-yl)thio)methyl)pyrrolidine-1-carboxylate | C16H21N3O2S

tert-Butyl 2-(((3-cyanopyridin-2-yl)thio)methyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC16H21N3O2S
  • Average mass319.422 Da
  • Monoisotopic mass319.135437 Da
  • ChemSpider ID28538645

More details:

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

1353978-84-3 [RN]
1-Pyrrolidinecarboxylic acid, 2-[[(3-cyano-2-pyridinyl)thio]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[(3-Cyano-2-pyridinyl)sulfanyl]méthyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[(3-cyano-2-pyridinyl)sulfanyl]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[(3-cyan-2-pyridinyl)sulfanyl]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-Butyl 2-(((3-cyanopyridin-2-yl)thio)methyl)pyrrolidine-1-carboxylate
2-(3-Cyano-pyridin-2-ylsulfanylmeth yl)-pyrrolidine-1-carboxylic acid t ert-butyl ester
2-(3-Cyanopyridin-2-ylsulfanylmethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
2-(3-Cyano-pyridin-2-ylsulfanylmethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
2-(3-Cyano-pyridin-2-ylsulfanylmethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
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: 464.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.6±24.6 °C
Index of Refraction: 1.578
Molar Refractivity: 87.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.46
ACD/KOC (pH 5.5): 976.65
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.46
ACD/KOC (pH 7.4): 976.65
Polar Surface Area: 92 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 262.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement