ChemSpider 2D Image | 4-(1,1-Dioxido-2H-1,2,4-benzothiadiazin-3(4H)-ylidene)-2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-one | C21H26N2O3S

4-(1,1-Dioxido-2H-1,2,4-benzothiadiazin-3(4H)-ylidene)-2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-one

  • Molecular FormulaC21H26N2O3S
  • Average mass386.508 Da
  • Monoisotopic mass386.166412 Da
  • ChemSpider ID57468234

More details:

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

2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3(4H)-ylidene)- [ACD/Index Name]
4-(1,1-Dioxido-2H-1,2,4-benzothiadiazin-3(4H)-yliden)-2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-(1,1-Dioxido-2H-1,2,4-benzothiadiazin-3(4H)-ylidene)-2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-(1,1-Dioxydo-2H-1,2,4-benzothiadiazin-3(4H)-ylidène)-2,6-bis(2-méthyl-2-propanyl)-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
150457-39-9 [RN]
4-(4H-1,2,4-BENZOTHIADIAZINE-3-YL)-2,6-BIS(DIMETHYLETHYL)PHENOL-S,S-DIOXIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 498.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.0±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 391.97
ACD/KOC (pH 5.5): 2499.50
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 391.87
ACD/KOC (pH 7.4): 2498.86
Polar Surface Area: 84 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 315.8±3.0 cm3

Click to predict properties on the Chemicalize site


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