ChemSpider 2D Image | 4-Methyl-3-(methylsulfanyl)-7-nitro-4H-1,2,4-benzothiadiazine 1,1-dioxide | C9H9N3O4S2

4-Methyl-3-(methylsulfanyl)-7-nitro-4H-1,2,4-benzothiadiazine 1,1-dioxide

  • Molecular FormulaC9H9N3O4S2
  • Average mass287.315 Da
  • Monoisotopic mass287.003448 Da
  • ChemSpider ID21391414

More details:

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

1,1-Dioxyde de 4-méthyl-3-(méthylsulfanyl)-7-nitro-4H-1,2,4-benzothiadiazine [French] [ACD/IUPAC Name]
1000575-87-0 [RN]
4H-1,2,4-Benzothiadiazine, 4-methyl-3-(methylthio)-7-nitro-, 1,1-dioxide [ACD/Index Name]
4-Methyl-3-(methylsulfanyl)-7-nitro-4H-1,2,4-benzothiadiazin-1,1-dioxid [German] [ACD/IUPAC Name]
4-Methyl-3-(methylsulfanyl)-7-nitro-4H-1,2,4-benzothiadiazine 1,1-dioxide [ACD/IUPAC Name]
4-methyl-3-(methylsulfanyl)-7-nitro-4H-1??,2,4-benzothiadiazine-1,1-dione
4-Methyl-3-(methylthio)-7-nitro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
4-Methyl-3-methylthio-7-nitro-4H-1,2,4-
4-Methyl-3-methylthio-7-nitro-4H-1,2,4-benzothiadiazin-1,1-dioxide
benzothiadiazin-1,1-dioxide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 489.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.9±29.3 °C
Index of Refraction: 1.718
Molar Refractivity: 68.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 75.33
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.94
ACD/KOC (pH 7.4): 75.33
Polar Surface Area: 129 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 174.5±7.0 cm3

Click to predict properties on the Chemicalize site


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