ChemSpider 2D Image | Benzenesulfonothioic acid, S-(aminothioxomethyl) ester | C7H7NO2S3

Benzenesulfonothioic acid, S-(aminothioxomethyl) ester

  • Molecular FormulaC7H7NO2S3
  • Average mass233.331 Da
  • Monoisotopic mass232.963882 Da
  • ChemSpider ID67026357

More details:

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

Benzenesulfonothioic acid, S-(aminothioxomethyl) ester [ACD/Index Name]
Benzenesulphonyl Dithiocarbamate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 414.7±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.6±24.0 °C
Index of Refraction: 1.692
Molar Refractivity: 59.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.09
ACD/KOC (pH 5.5): 126.88
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 126.85
Polar Surface Area: 126 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 153.8±3.0 cm3

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