ChemSpider 2D Image | (4S,6S)-2,4,6-Triisobutyl-1,3,5-dithiazinane | C15H31NS2

(4S,6S)-2,4,6-Triisobutyl-1,3,5-dithiazinane

  • Molecular FormulaC15H31NS2
  • Average mass289.543 Da
  • Monoisotopic mass289.189789 Da
  • ChemSpider ID34986583

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,6S)-2,4,6-Triisobutyl-1,3,5-dithiazinan [German] [ACD/IUPAC Name]
(4S,6S)-2,4,6-Triisobutyl-1,3,5-dithiazinane [ACD/IUPAC Name]
(4S,6S)-2,4,6-Triisobutyl-1,3,5-dithiazinane [French] [ACD/IUPAC Name]
4H-1,3,5-Dithiazine, dihydro-2,4,6-tris(2-methylpropyl)-, (4S,6S)- [ACD/Index Name]
2,4,6-Triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine
2,4,6-TRIISOBUTYL-5,6-DIHYDRO-4H-1,3,5-DITHIAZINE, TRANS-
74595-94-1 [RN]
UNII-6W8Q307P10

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

UNII-Z24510S94G [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 385.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.8±22.3 °C
Index of Refraction: 1.479
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 716.07
ACD/KOC (pH 5.5): 2124.67
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5309.53
ACD/KOC (pH 7.4): 15754.09
Polar Surface Area: 63 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

Click to predict properties on the Chemicalize site


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