ChemSpider 2D Image | 1-[(3R)-3-Cyclopropyl-3-hydroxy-4,4-dimethyl-1-pyrrolidinyl]-2-(methylsulfanyl)ethanone | C12H21NO2S

1-[(3R)-3-Cyclopropyl-3-hydroxy-4,4-dimethyl-1-pyrrolidinyl]-2-(methylsulfanyl)ethanone

  • Molecular FormulaC12H21NO2S
  • Average mass243.366 Da
  • Monoisotopic mass243.129303 Da
  • ChemSpider ID29492297

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(3R)-3-Cyclopropyl-3-hydroxy-4,4-dimethyl-1-pyrrolidinyl]-2-(methylsulfanyl)ethanon [German] [ACD/IUPAC Name]
1-[(3R)-3-Cyclopropyl-3-hydroxy-4,4-dimethyl-1-pyrrolidinyl]-2-(methylsulfanyl)ethanone [ACD/IUPAC Name]
1-[(3R)-3-Cyclopropyl-3-hydroxy-4,4-diméthyl-1-pyrrolidinyl]-2-(méthylsulfanyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethyl-1-pyrrolidinyl]-2-(methylthio)- [ACD/Index Name]
(3R)-3-cyclopropyl-4,4-dimethyl-1-[(methylthio)acetyl]-3-pyrrolidinol
1435056-74-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 378.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.5±6.0 kJ/mol
Flash Point: 182.9±26.5 °C
Index of Refraction: 1.572
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.29
ACD/KOC (pH 5.5): 158.12
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.29
ACD/KOC (pH 7.4): 158.12
Polar Surface Area: 66 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 202.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement