ChemSpider 2D Image | (2r,4R,6S)-2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane | C9H19NS2

(2r,4R,6S)-2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane

  • Molecular FormulaC9H19NS2
  • Average mass205.384 Da
  • Monoisotopic mass205.095886 Da
  • ChemSpider ID34983730

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2r,4R,6S)-2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinan [German] [ACD/IUPAC Name]
(2r,4R,6S)-2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane [ACD/IUPAC Name]
(2r,4R,6S)-2-Isobutyl-4,6-diméthyl-1,3,5-dithiazinane [French] [ACD/IUPAC Name]
4H-1,3,5-Dithiazine, dihydro-4,6-dimethyl-2-(2-methylpropyl)-, (2β,4α,6α)- [ACD/Index Name]
101517-87-7 [RN]
2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane [ACD/IUPAC Name]
ISOBUTYLDIMETHYLDIHYDRO-1,3,5-DITHIAZINE
UNII-0EBF2A5BJF
UNII-YOR3E7P831

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

Density: 1.0±0.1 g/cm3
Boiling Point: 302.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.3±3.0 kJ/mol
Flash Point: 137.0±22.3 °C
Index of Refraction: 1.491
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 20.62
ACD/KOC (pH 5.5): 167.68
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 152.89
ACD/KOC (pH 7.4): 1243.34
Polar Surface Area: 63 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 212.4±3.0 cm3

Click to predict properties on the Chemicalize site


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