ChemSpider 2D Image | 4,5-Bis{[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-dithiole-2-thione | C21H16N2S9

4,5-Bis{[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-dithiole-2-thione

  • Molecular FormulaC21H16N2S9
  • Average mass584.950 Da
  • Monoisotopic mass583.880005 Da
  • ChemSpider ID21125935

More details:

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

1,3-Dithiole-2-thione, 4,5-bis[[2-(2-benzothiazolylthio)ethyl]thio]- [ACD/Index Name]
4,5-Bis{[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-dithiol-2-thion [German] [ACD/IUPAC Name]
4,5-Bis{[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]sulfanyl}-1,3-dithiole-2-thione [ACD/IUPAC Name]
4,5-Bis{[2-(1,3-benzothiazol-2-ylsulfanyl)éthyl]sulfanyl}-1,3-dithiole-2-thione [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 736.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 398.9±35.7 °C
Index of Refraction: 1.872
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 312441.44
ACD/KOC (pH 5.5): 298350.75
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 312446.56
ACD/KOC (pH 7.4): 298355.69
Polar Surface Area: 266 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 101.3±5.0 dyne/cm
Molar Volume: 359.5±5.0 cm3

Click to predict properties on the Chemicalize site


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