ChemSpider 2D Image | Acetic methylcarbothioic anhydride | C3H6O3S2

Acetic methylcarbothioic anhydride

  • Molecular FormulaC3H6O3S2
  • Average mass154.208 Da
  • Monoisotopic mass153.975830 Da
  • ChemSpider ID97156785

More details:

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

Acetic methylcarbothioic anhydride [ACD/IUPAC Name]
Anhydride acétique-méthylcarbothioïque [French] [ACD/IUPAC Name]
Essigsäuremethylcarbothiosäureanhydrid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 263.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 113.4±22.6 °C
Index of Refraction: 1.509
Molar Refractivity: 32.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.84
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.84
Polar Surface Area: 85 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 110.2±3.0 cm3

Click to predict properties on the Chemicalize site


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