ChemSpider 2D Image | 7,8-Dimethoxy-3-methyl-2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one | C11H11NO3S2

7,8-Dimethoxy-3-methyl-2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one

  • Molecular FormulaC11H11NO3S2
  • Average mass269.340 Da
  • Monoisotopic mass269.018036 Da
  • ChemSpider ID25055421

More details:

Featured data source
Natural Product Updates

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

4H-1,3-Benzothiazin-4-one, 2,3-dihydro-7,8-dimethoxy-3-methyl-2-thioxo- [ACD/Index Name]
7,8-Dimethoxy-3-methyl-2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-on [German] [ACD/IUPAC Name]
7,8-Dimethoxy-3-methyl-2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one [ACD/IUPAC Name]
7,8-Diméthoxy-3-méthyl-2-thioxo-2,3-dihydro-4H-1,3-benzothiazin-4-one [French] [ACD/IUPAC Name]
BRETSCHNEIDERAZINE B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 409.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.4±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 70.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.52
ACD/KOC (pH 5.5): 187.57
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.52
ACD/KOC (pH 7.4): 187.57
Polar Surface Area: 96 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 187.5±5.0 cm3

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