ChemSpider 2D Image | 4-(3-Cyanophenyl)-4H-1,4-benzothiazine-2-carbonitrile 1,1-dioxide | C16H9N3O2S

4-(3-Cyanophenyl)-4H-1,4-benzothiazine-2-carbonitrile 1,1-dioxide

  • Molecular FormulaC16H9N3O2S
  • Average mass307.327 Da
  • Monoisotopic mass307.041534 Da
  • ChemSpider ID29100709

More details:

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

1,1-Dioxyde de 4-(3-cyanophényl)-4H-1,4-benzothiazine-2-carbonitrile [French] [ACD/IUPAC Name]
4-(3-Cyanophenyl)-4H-1,4-benzothiazine-2-carbonitrile 1,1-dioxide [ACD/IUPAC Name]
4-(3-Cyanphenyl)-4H-1,4-benzothiazin-2-carbonitril-1,1-dioxid [German] [ACD/IUPAC Name]
4H-1,4-Benzothiazine-2-carbonitrile, 4-(3-cyanophenyl)-, 1,1-dioxide [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 525.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.8±30.1 °C
Index of Refraction: 1.721
Molar Refractivity: 80.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.81
ACD/KOC (pH 5.5): 326.41
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.81
ACD/KOC (pH 7.4): 326.41
Polar Surface Area: 93 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 83.6±5.0 dyne/cm
Molar Volume: 202.8±5.0 cm3

Click to predict properties on the Chemicalize site


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