ChemSpider 2D Image | (3R,6S)-3,6-Dimethyl-1,2-dithiane 1-oxide | C6H12OS2

(3R,6S)-3,6-Dimethyl-1,2-dithiane 1-oxide

  • Molecular FormulaC6H12OS2
  • Average mass164.289 Da
  • Monoisotopic mass164.032959 Da
  • ChemSpider ID62600425

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3R,6S)-3,6-Dimethyl-1,2-dithian-1-oxid [German] [ACD/IUPAC Name]
(1S,3R,6S)-3,6-Dimethyl-1,2-dithiane 1-oxide [ACD/IUPAC Name]
(3R,6S)-3,6-Dimethyl-1,2-dithian-1-oxid [German] [ACD/IUPAC Name]
(3R,6S)-3,6-Dimethyl-1,2-dithiane 1-oxide [ACD/IUPAC Name]
1,2-Dithiane, 3,6-dimethyl-, 1-oxide, (1S,3R,6S)- [ACD/Index Name]
1,2-Dithiane, 3,6-dimethyl-, 1-oxide, (3R,6S)- [ACD/Index Name]
1-Oxyde de (1S,3R,6S)-3,6-diméthyl-1,2-dithiane [French] [ACD/IUPAC Name]
1-Oxyde de (3R,6S)-3,6-diméthyl-1,2-dithiane [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 276.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 120.9±22.6 °C
Index of Refraction: 1.575
Molar Refractivity: 44.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.68
ACD/KOC (pH 5.5): 104.98
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 104.98
Polar Surface Area: 62 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 135.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement