ChemSpider 2D Image | 2,2'-[3,4,6,7-Tetramethoxy-2,8-bis(methylsulfanyl)-1,9-thianthrenediyl]bis(N,N-dimethylethanamine) | C26H38N2O4S4

2,2'-[3,4,6,7-Tetramethoxy-2,8-bis(methylsulfanyl)-1,9-thianthrenediyl]bis(N,N-dimethylethanamine)

  • Molecular FormulaC26H38N2O4S4
  • Average mass570.851 Da
  • Monoisotopic mass570.171448 Da
  • ChemSpider ID23280690

More details:

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

1,9-Thianthrenediethanamine, 3,4,6,7-tetramethoxy-N1,N1,N9,N9-tetramethyl-2,8-bis(methylthio)- [ACD/Index Name]
2,2'-[3,4,6,7-Tetramethoxy-2,8-bis(methylsulfanyl)-1,9-thianthrendiyl]bis(N,N-dimethylethanamin) [German] [ACD/IUPAC Name]
2,2'-[3,4,6,7-Tetramethoxy-2,8-bis(methylsulfanyl)-1,9-thianthrenediyl]bis(N,N-dimethylethanamine) [ACD/IUPAC Name]
2,2'-[3,4,6,7-Tétraméthoxy-2,8-bis(méthylsulfanyl)-1,9-thianthrènediyl]bis(N,N-diméthyléthanamine) [French] [ACD/IUPAC Name]
2,2'-[3,4,6,7-tetramethoxy-2,8-bis(methylsulfanyl)thianthrene-1,9-diyl]bis(N,N-dimethylethanamine)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL375626/
lissoclinotoxin E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.7±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 8.90
ACD/KOC (pH 7.4): 21.42
Polar Surface Area: 145 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 446.7±5.0 cm3

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