ChemSpider 2D Image | 6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione | C39H66O2S2

6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione

  • Molecular FormulaC39H66O2S2
  • Average mass631.070 Da
  • Monoisotopic mass630.450439 Da
  • ChemSpider ID168476

More details:

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

6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophen-4,7-dion [German] [ACD/IUPAC Name]
6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione [ACD/IUPAC Name]
6-(3,7,11,15,19,23-Hexaméthyltétracosyl)-5-(méthylsulfanyl)-1-benzothiophène-4,7-dione [French] [ACD/IUPAC Name]
Benzo[b]thiophene-4,7-dione, 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylthio)- [ACD/Index Name]
6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-methylthiobenzo(b)thiophen-4,7-quinone
6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-methylthiobenzo[b]thiophen-4,7-quinone
63693-26-5 [RN]
72698-36-3 [RN]
Benzo[b]thiophen-4,7-quinone, 6-(3,7,11,15, 19,23-hexamethyltetracosyl)-5-(methylthio)-
Benzo[b]thiophen-4,7-quinone, 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylthio)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC301747 [DBID]
NSC613256 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 670.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.5±31.5 °C
Index of Refraction: 1.520
Molar Refractivity: 192.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 16.90
ACD/LogD (pH 5.5): 13.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 88 Å2
Polarizability: 76.3±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 633.2±5.0 cm3

Click to predict properties on the Chemicalize site


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