ChemSpider 2D Image | Carbonic acid, ethyl (thioxoamino)carbonyl ester | C4H5NO4S

Carbonic acid, ethyl (thioxoamino)carbonyl ester

  • Molecular FormulaC4H5NO4S
  • Average mass163.152 Da
  • Monoisotopic mass162.993927 Da
  • ChemSpider ID67491446

More details:

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

Carbonic acid, ethyl (thioxoamino)carbonyl ester [ACD/Index Name]
ethoxycarbonyl thionocarbamate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 183.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.0±3.0 kJ/mol
Flash Point: 64.9±22.6 °C
Index of Refraction: 1.522
Molar Refractivity: 35.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 106.23
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.75
ACD/KOC (pH 7.4): 106.23
Polar Surface Area: 97 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 116.9±7.0 cm3

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