ChemSpider 2D Image | 3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl isothiocyanate | C10H6N2O2S2

3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl isothiocyanate

  • Molecular FormulaC10H6N2O2S2
  • Average mass250.297 Da
  • Monoisotopic mass249.987061 Da
  • ChemSpider ID37725085

More details:

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

2H-1,4-Benzothiazine-6-carbonyl isothiocyanate, 3,4-dihydro-3-oxo- [ACD/Index Name]
3-Oxo-3,4-dihydro-2H-1,4-benzothiazin-6-carbonylisothiocyanat [German] [ACD/IUPAC Name]
3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl isothiocyanate [ACD/IUPAC Name]
Isothiocyanate de 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyle [French] [ACD/IUPAC 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: 495.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 253.1±28.7 °C
Index of Refraction: 1.746
Molar Refractivity: 66.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 58.15
ACD/KOC (pH 5.5): 637.76
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 58.15
ACD/KOC (pH 7.4): 637.75
Polar Surface Area: 116 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 163.8±7.0 cm3

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