ChemSpider 2D Image | 6-{[1-(5-Bromo-2-thienyl)ethyl]amino}-2H-1,4-benzothiazin-3(4H)-one | C14H13BrN2OS2

6-{[1-(5-Bromo-2-thienyl)ethyl]amino}-2H-1,4-benzothiazin-3(4H)-one

  • Molecular FormulaC14H13BrN2OS2
  • Average mass369.300 Da
  • Monoisotopic mass367.965271 Da
  • ChemSpider ID26417032

More details:

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

2H-1,4-Benzothiazin-3(4H)-one, 6-[[1-(5-bromo-2-thienyl)ethyl]amino]- [ACD/Index Name]
6-{[1-(5-Brom-2-thienyl)ethyl]amino}-2H-1,4-benzothiazin-3(4H)-on [German] [ACD/IUPAC Name]
6-{[1-(5-Bromo-2-thienyl)ethyl]amino}-2H-1,4-benzothiazin-3(4H)-one [ACD/IUPAC Name]
6-{[1-(5-Bromo-2-thiényl)éthyl]amino}-2H-1,4-benzothiazin-3(4H)-one [French] [ACD/IUPAC Name]
6-{[1-(5-bromothiophen-2-yl)ethyl]amino}-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 545.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.6±30.1 °C
Index of Refraction: 1.709
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 342.26
ACD/KOC (pH 5.5): 2267.62
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.59
ACD/KOC (pH 7.4): 2269.83
Polar Surface Area: 95 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

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