ChemSpider 2D Image | (2S,4S)-2-Isopropyl-4-methyl-1,3-dithiolane | C7H14S2

(2S,4S)-2-Isopropyl-4-methyl-1,3-dithiolane

  • Molecular FormulaC7H14S2
  • Average mass162.316 Da
  • Monoisotopic mass162.053696 Da
  • ChemSpider ID24211045

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-2-Isopropyl-4-methyl-1,3-dithiolan [German] [ACD/IUPAC Name]
(2S,4S)-2-Isopropyl-4-methyl-1,3-dithiolane [ACD/IUPAC Name]
(2S,4S)-2-Isopropyl-4-méthyl-1,3-dithiolane [French] [ACD/IUPAC Name]
1,3-Dithiolane, 4-methyl-2-(1-methylethyl)-, (2S,4S)- [ACD/Index Name]
50363-49-0 [RN]
1,3-Dithiolane, 4-methyl-2-(1-methylethyl)-, trans- (9CI)
1,3-Dithiolane,4-methyl-2-(1-methylethyl)-,trans-(9CI)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 217.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.5±3.0 kJ/mol
Flash Point: 80.1±17.4 °C
Index of Refraction: 1.522
Molar Refractivity: 48.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.73
ACD/KOC (pH 5.5): 1237.07
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.73
ACD/KOC (pH 7.4): 1237.07
Polar Surface Area: 51 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 159.8±3.0 cm3

Click to predict properties on the Chemicalize site


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