ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-2-{[(4-methylphenyl)sulfinyl]acetyl}-1-pyrrolidinecarboxylate | C18H25NO4S

2-Methyl-2-propanyl (2S)-2-{[(4-methylphenyl)sulfinyl]acetyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC18H25NO4S
  • Average mass351.460 Da
  • Monoisotopic mass351.150421 Da
  • ChemSpider ID21182894

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-{2-[(4-Méthylphényl)sulfinyl]acétyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[2-[(4-methylphenyl)sulfinyl]acetyl]-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-{[(4-methylphenyl)sulfinyl]acetyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-{[(4-methylphenyl)sulfinyl]acetyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.9±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 47.05
ACD/KOC (pH 5.5): 548.08
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 47.05
ACD/KOC (pH 7.4): 548.08
Polar Surface Area: 83 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 285.2±5.0 cm3

Click to predict properties on the Chemicalize site


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