ChemSpider 2D Image | 7-Bromo-2-oxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-carboxylic acid | C7H4BrNO3S2

7-Bromo-2-oxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-carboxylic acid

  • Molecular FormulaC7H4BrNO3S2
  • Average mass294.146 Da
  • Monoisotopic mass292.881592 Da
  • ChemSpider ID49545396

More details:

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

1H-Thieno[2,3-b][1,4]thiazine-6-carboxylic acid, 7-bromo-2,3-dihydro-2-oxo- [ACD/Index Name]
7-Brom-2-oxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazin-6-carbonsäure [German] [ACD/IUPAC Name]
7-Bromo-2-oxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine-6-carboxylic acid [ACD/IUPAC Name]
Acide 7-bromo-2-oxo-2,3-dihydro-1H-thiéno[2,3-b][1,4]thiazine-6-carboxylique [French] [ACD/IUPAC Name]
1785495-29-5 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 522.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.7±30.1 °C
Index of Refraction: 1.730
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 77.6±3.0 dyne/cm
Molar Volume: 146.5±3.0 cm3

Click to predict properties on the Chemicalize site


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