ChemSpider 2D Image | 3-[(Butylsulfanyl)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | C12H16ClN3O4S3

3-[(Butylsulfanyl)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

  • Molecular FormulaC12H16ClN3O4S3
  • Average mass397.921 Da
  • Monoisotopic mass396.999146 Da
  • ChemSpider ID78244879

More details:

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

1,1-Dioxyde de 3-[(butylsulfanyl)méthyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide [French] [ACD/IUPAC Name]
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-[(butylthio)methyl]-6-chloro-, 1,1-dioxide [ACD/Index Name]
3-[(Butylsulfanyl)methyl]-6-chlor-2H-1,2,4-benzothiadiazin-7-sulfonamid-1,1-dioxid [German] [ACD/IUPAC Name]
3-[(Butylsulfanyl)methyl]-6-chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 644.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.5±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 12.95
ACD/KOC (pH 5.5): 203.49
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.84
Polar Surface Area: 161 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 238.5±7.0 cm3

Click to predict properties on the Chemicalize site


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