ChemSpider 2D Image | 4-(6,7-Dichloro-1,1-dioxido-2H-1,2,4-benzothiadiazin-3(4H)-ylidene)-2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-one | C21H24Cl2N2O3S

4-(6,7-Dichloro-1,1-dioxido-2H-1,2,4-benzothiadiazin-3(4H)-ylidene)-2,6-bis(2-methyl-2-propanyl)-2,5-cyclohexadien-1-one

  • Molecular FormulaC21H24Cl2N2O3S
  • Average mass455.398 Da
  • Monoisotopic mass454.088470 Da
  • ChemSpider ID57470525

More details:

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

2,5-Cyclohexadien-1-one, 4-(6,7-dichloro-1,1-dioxido-2H-1,2,4-benzothiadiazin-3(4H)-ylidene)-2,6-bis(1,1-dimethylethyl)- [ACD/Index Name]
4-(6,7-Dichlor-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-(6,7-Dichloro-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-(6,7-Dichloro-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]
150457-40-2 [RN]
4-(6,7-dichloro-4H-1,2,4-benzothiadiazine-3-yl)-2,6-bis(1,1-dimethylethyl)phenol-S,S-dioxide
4-(6,7-DICHLORO-4H-1,2,4-BENZOTHIADIAZINE-3-YL)-2,6-BIS(TERT-BUTYL)PHENOL-S,S-DIOXIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.5±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4467.87
ACD/KOC (pH 5.5): 14237.30
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 2844.09
ACD/KOC (pH 7.4): 9062.97
Polar Surface Area: 84 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 339.7±3.0 cm3

Click to predict properties on the Chemicalize site


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