ChemSpider 2D Image | 4-(Methylsulfanyl)-1-(1-pyrrolidinyl)-1-butanone | C9H17NOS

4-(Methylsulfanyl)-1-(1-pyrrolidinyl)-1-butanone

  • Molecular FormulaC9H17NOS
  • Average mass187.302 Da
  • Monoisotopic mass187.103088 Da
  • ChemSpider ID27366917

More details:

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

1807555-56-1 [RN]
1-Butanone, 4-(methylthio)-1-(1-pyrrolidinyl)- [ACD/Index Name]
4-(Methylsulfanyl)-1-(1-pyrrolidinyl)-1-butanon [German] [ACD/IUPAC Name]
4-(Methylsulfanyl)-1-(1-pyrrolidinyl)-1-butanone [ACD/IUPAC Name]
4-(Méthylsulfanyl)-1-(1-pyrrolidinyl)-1-butanone [French] [ACD/IUPAC Name]
4-(methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
MFCD32219945

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

Density: 1.1±0.1 g/cm3
Boiling Point: 332.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 154.8±23.2 °C
Index of Refraction: 1.521
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.62
ACD/KOC (pH 5.5): 119.76
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.62
ACD/KOC (pH 7.4): 119.76
Polar Surface Area: 46 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 174.5±3.0 cm3

Click to predict properties on the Chemicalize site


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