ChemSpider 2D Image | 2-Thioxo[1,3]dithiolo[4,5-b]naphtho[2,3-e][1,4]dithiine-5,10-dione | C13H4O2S5

2-Thioxo[1,3]dithiolo[4,5-b]naphtho[2,3-e][1,4]dithiine-5,10-dione

  • Molecular FormulaC13H4O2S5
  • Average mass352.495 Da
  • Monoisotopic mass351.881470 Da
  • ChemSpider ID30657177

More details:

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

1,3-Dithiolo[4,5-b]naphtho[2,3-e][1,4]dithiin-5,10-dione, 2-thioxo- [ACD/Index Name]
2-Thioxo[1,3]dithiolo[4,5-b]naphtho[2,3-e][1,4]dithiin-5,10-dion [German] [ACD/IUPAC Name]
2-Thioxo[1,3]dithiolo[4,5-b]naphtho[2,3-e][1,4]dithiine-5,10-dione [ACD/IUPAC Name]
2-Thioxo[1,3]dithiolo[4,5-b]naphto[2,3-e][1,4]dithiine-5,10-dione [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 486.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.1±31.5 °C
Index of Refraction: 1.948
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 807.32
ACD/KOC (pH 5.5): 4192.43
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 807.32
ACD/KOC (pH 7.4): 4192.43
Polar Surface Area: 167 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 115.3±5.0 dyne/cm
Molar Volume: 189.4±5.0 cm3

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