ChemSpider 2D Image | Methyl ({1-[3-(phenylsulfonyl)propanoyl]-3-pyrrolidinyl}sulfanyl)acetate | C16H21NO5S2

Methyl ({1-[3-(phenylsulfonyl)propanoyl]-3-pyrrolidinyl}sulfanyl)acetate

  • Molecular FormulaC16H21NO5S2
  • Average mass371.472 Da
  • Monoisotopic mass371.086121 Da
  • ChemSpider ID32690883

More details:

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

({1-[3-(Phénylsulfonyl)propanoyl]-3-pyrrolidinyl}sulfanyl)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[1-[1-oxo-3-(phenylsulfonyl)propyl]-3-pyrrolidinyl]thio]-, methyl ester [ACD/Index Name]
Methyl ({1-[3-(phenylsulfonyl)propanoyl]-3-pyrrolidinyl}sulfanyl)acetate [ACD/IUPAC Name]
Methyl-({1-[3-(phenylsulfonyl)propanoyl]-3-pyrrolidinyl}sulfanyl)acetat [German] [ACD/IUPAC Name]
2034471-74-2 [RN]
methyl 2-((1-(3-(phenylsulfonyl)propanoyl)pyrrolidin-3-yl)thio)acetate
methyl 2-({1-[3-(benzenesulfonyl)propanoyl]pyrrolidin-3-yl}sulfanyl)acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.89
ACD/KOC (pH 5.5): 138.62
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.89
ACD/KOC (pH 7.4): 138.62
Polar Surface Area: 114 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 275.8±5.0 cm3

Click to predict properties on the Chemicalize site


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