ChemSpider 2D Image | (2S,5S)-2-Isopropyl-5-[(methylsulfanyl)methyl]tetrahydrofuran | C9H18OS

(2S,5S)-2-Isopropyl-5-[(methylsulfanyl)methyl]tetrahydrofuran

  • Molecular FormulaC9H18OS
  • Average mass174.304 Da
  • Monoisotopic mass174.107834 Da
  • ChemSpider ID24211626

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5S)-2-Isopropyl-5-[(methylsulfanyl)methyl]tetrahydrofuran [ACD/IUPAC Name]
(2S,5S)-2-Isopropyl-5-[(methylsulfanyl)methyl]tetrahydrofuran [German] [ACD/IUPAC Name]
(2S,5S)-2-Isopropyl-5-[(méthylsulfanyl)méthyl]tétrahydrofurane [French] [ACD/IUPAC Name]
Furan, tetrahydro-2-(1-methylethyl)-5-[(methylthio)methyl]-, (2S,5S)- [ACD/Index Name]
(2S,5S)-2-isopropyl-5-((methylthio)methyl)tetrahydrofuran
126946-07-4 [RN]
Furan, tetrahydro-2-(1-methylethyl)-5-[(methylthio)methyl]-, trans- (9CI)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 235.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 96.5±19.8 °C
Index of Refraction: 1.471
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.87
ACD/KOC (pH 5.5): 1083.19
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.87
ACD/KOC (pH 7.4): 1083.19
Polar Surface Area: 35 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 183.4±3.0 cm3

Click to predict properties on the Chemicalize site


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