ChemSpider 2D Image | Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate 1,1-dioxide | C10H9NO5S

Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate 1,1-dioxide

  • Molecular FormulaC10H9NO5S
  • Average mass255.247 Da
  • Monoisotopic mass255.020142 Da
  • ChemSpider ID27420406

More details:

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

1,1-Dioxyde de 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-1,4-Benzothiazine-6-carboxylic acid, 3,4-dihydro-3-oxo-, methyl ester, 1,1-dioxide [ACD/Index Name]
Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate 1,1-dioxide [ACD/IUPAC Name]
Methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
[702669-47-4] [RN]
702669-47-4 [RN]
Methyl 1,1,3-trioxo-1,2,3,4-tetrahydro-1λ6,4-benzothiazine-6-carboxylate
methyl 1,1,3-trioxo-4H-1λ6,4-benzothiazine-6-carboxylate
Methyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylate 1,1-dioxide
METHYL-3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-6-CARBOXYLATE 1,1-DIOXIDE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 558.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.0±3.0 kJ/mol
    Flash Point: 291.4±30.1 °C
    Index of Refraction: 1.580
    Molar Refractivity: 57.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.32
    ACD/LogD (pH 5.5): 0.00
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.73
    ACD/LogD (pH 7.4): 0.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 23.70
    Polar Surface Area: 98 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 173.3±3.0 cm3

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