ChemSpider 2D Image | Methyl 1-piperazinecarbo(dithioperoxo)thioate | C6H12N2S3

Methyl 1-piperazinecarbo(dithioperoxo)thioate

  • Molecular FormulaC6H12N2S3
  • Average mass208.368 Da
  • Monoisotopic mass208.016251 Da
  • ChemSpider ID74000739

More details:

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

1-Pipérazinecarbo(dithioperoxo)thioate de méthyle [French] [ACD/IUPAC Name]
1-Piperazinecarbo(dithioperoxo)thioic acid, methyl ester [ACD/Index Name]
Methyl 1-piperazinecarbo(dithioperoxo)thioate [ACD/IUPAC Name]
Methyl-1-piperazincarbo(dithioperoxo)thioat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 322.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.7±30.7 °C
Index of Refraction: 1.639
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.10
ACD/KOC (pH 7.4): 65.12
Polar Surface Area: 98 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 160.6±3.0 cm3

Click to predict properties on the Chemicalize site


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