ChemSpider 2D Image | (3R)-3-[(2-Methyl-3-furyl)sulfanyl]-2-butanone | C9H12O2S

(3R)-3-[(2-Methyl-3-furyl)sulfanyl]-2-butanone

  • Molecular FormulaC9H12O2S
  • Average mass184.255 Da
  • Monoisotopic mass184.055801 Da
  • ChemSpider ID34988726

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-[(2-Methyl-3-furyl)sulfanyl]-2-butanon [German] [ACD/IUPAC Name]
(3R)-3-[(2-Methyl-3-furyl)sulfanyl]-2-butanone [ACD/IUPAC Name]
(3R)-3-[(2-Méthyl-3-furyl)sulfanyl]-2-butanone [French] [ACD/IUPAC Name]
2-Butanone, 3-[(2-methyl-3-furanyl)thio]-, (3R)- [ACD/Index Name]
3-((2-Methyl-3-furyl)thio)-2-butanone
61295-44-1 [RN]
UNII-9R89X7164W

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

Density: 1.1±0.1 g/cm3
Boiling Point: 239.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 98.6±25.9 °C
Index of Refraction: 1.521
Molar Refractivity: 50.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.41
ACD/KOC (pH 5.5): 322.29
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.41
ACD/KOC (pH 7.4): 322.29
Polar Surface Area: 56 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 165.8±5.0 cm3

Click to predict properties on the Chemicalize site


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