ChemSpider 2D Image | Benzyl 3-(acetylsulfanyl)-1-pyrrolidinecarboxylate | C14H17NO3S

Benzyl 3-(acetylsulfanyl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC14H17NO3S
  • Average mass279.355 Da
  • Monoisotopic mass279.092926 Da
  • ChemSpider ID24958093

More details:






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

1-Pyrrolidinecarboxylic acid, 3-(acetylthio)-, phenylmethyl ester [ACD/Index Name]
3-(Acétylsulfanyl)-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
930299-97-1 [RN]
Benzyl 3-(acetylsulfanyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl 3-(acetylsulfanyl)pyrrolidine-1-carboxylate
Benzyl-3-(acetylsulfanyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
1-(Methylsulfonyl)azetidin-3-amine
1-Cbz-3-Acetylsulfanyl-pyrrolidine
3-Acetylsulfanyl-pyrrolidine-1-carboxylic acid benzyl ester
MFCD11501252

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 414.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.5±28.4 °C
Index of Refraction: 1.590
Molar Refractivity: 75.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.89
ACD/KOC (pH 5.5): 587.86
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.89
ACD/KOC (pH 7.4): 587.86
Polar Surface Area: 72 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 224.1±5.0 cm3

Click to predict properties on the Chemicalize site






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