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Search term: IWKIBBBNFQTHGD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | O,O-Dimethyl O-(3-sulfamoylphenyl) phosphorothioate | C8H12NO5PS2

O,O-Dimethyl O-(3-sulfamoylphenyl) phosphorothioate

  • Molecular FormulaC8H12NO5PS2
  • Average mass297.288 Da
  • Monoisotopic mass296.989441 Da
  • ChemSpider ID21252915

More details:

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

O,O-Dimethyl O-(3-sulfamoylphenyl) phosphorothioate [ACD/IUPAC Name]
O,O-Dimethyl-O-(3-sulfamoylphenyl)phosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioate de O,O-diméthyle et de O-(3-sulfamoylphényle) [French] [ACD/IUPAC Name]
Phosphorothioic acid, O-[3-(aminosulfonyl)phenyl] O,O-dimethyl ester [ACD/Index Name]
115-93-5 [RN]
Cythioate [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 419.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.5±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 67.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.17
ACD/KOC (pH 5.5): 195.84
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.13
ACD/KOC (pH 7.4): 195.05
Polar Surface Area: 138 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 203.6±3.0 cm3

Click to predict properties on the Chemicalize site


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