ChemSpider 2D Image | (4R)-4-(Methylsulfanyl)-2-pentanone | C6H12OS

(4R)-4-(Methylsulfanyl)-2-pentanone

  • Molecular FormulaC6H12OS
  • Average mass132.224 Da
  • Monoisotopic mass132.060883 Da
  • ChemSpider ID34994624

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-(Methylsulfanyl)-2-pentanon [German] [ACD/IUPAC Name]
(4R)-4-(Methylsulfanyl)-2-pentanone [ACD/IUPAC Name]
(4R)-4-(Méthylsulfanyl)-2-pentanone [French] [ACD/IUPAC Name]
2-Pentanone, 4-(methylthio)-, (4R)- [ACD/Index Name]
143764-28-7 [RN]
4-(METHYLTHIO)-2-PENTANONE
UNII-V3J5V0HD9K

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

Density: 1.0±0.1 g/cm3
Boiling Point: 193.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.9±3.0 kJ/mol
Flash Point: 71.5±8.3 °C
Index of Refraction: 1.456
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.57
ACD/KOC (pH 5.5): 148.26
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.57
ACD/KOC (pH 7.4): 148.26
Polar Surface Area: 42 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 139.0±3.0 cm3

Click to predict properties on the Chemicalize site


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