ChemSpider 2D Image | 1,4,2-Benzodithiazine | C7H5NS2

1,4,2-Benzodithiazine

  • Molecular FormulaC7H5NS2
  • Average mass167.251 Da
  • Monoisotopic mass166.986343 Da
  • ChemSpider ID32987544

More details:






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

1,4,2-Benzodithiazin [German] [ACD/IUPAC Name]
1,4,2-Benzodithiazine [ACD/Index Name] [ACD/IUPAC Name]
1,4,2-Benzodithiazine [French] [ACD/Index Name] [ACD/IUPAC Name]
7018-19-1 [RN]
MFCD18447816

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 338.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.8±3.0 kJ/mol
Flash Point: 158.2±23.2 °C
Index of Refraction: 1.726
Molar Refractivity: 48.4±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.08
ACD/KOC (pH 5.5): 751.11
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.08
ACD/KOC (pH 7.4): 751.13
Polar Surface Area: 63 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 121.7±7.0 cm3

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