ChemSpider 2D Image | lissoclibadin 2 | C26H38N2O4S5

lissoclibadin 2

  • Molecular FormulaC26H38N2O4S5
  • Average mass602.916 Da
  • Monoisotopic mass602.143494 Da
  • ChemSpider ID9832670

More details:

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

2,2'-[3,4,9,10-Tetramethoxy-2,8-bis(methylsulfanyl)dibenzo[c,f][1,2,5]trithiepin-1,7-diyl]bis(N,N-dimethylethanamin) [German] [ACD/IUPAC Name]
2,2'-[3,4,9,10-Tetramethoxy-2,8-bis(methylsulfanyl)dibenzo[c,f][1,2,5]trithiepine-1,7-diyl]bis(N,N-dimethylethanamine) [ACD/IUPAC Name]
2,2'-[3,4,9,10-Tétraméthoxy-2,8-bis(méthylsulfanyl)dibenzo[c,f][1,2,5]trithiépine-1,7-diyl]bis(N,N-diméthyléthanamine) [French] [ACD/IUPAC Name]
Dibenzo[c,f][1,2,5]trithiepin-1,7-diethanamine, 3,4,9,10-tetramethoxy-N1,N1,N7,N7-tetramethyl-2,8-bis(methylthio)- [ACD/Index Name]
lissoclibadin 2
  • Miscellaneous

    • Chemical Class:

      An organosulfur heterocyclic compound isolated from the ascidian <ital>Lissoclinum badium</ital>. It has been shown to exhibit cytotoxicity against human cancer cell lines. ChEBI CHEBI:66580
      An organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines. ChEBI CHEBI:66580

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

Density: 1.3±0.1 g/cm3
Boiling Point: 648.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 169.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 7.37
ACD/KOC (pH 7.4): 18.71
Polar Surface Area: 170 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 460.5±5.0 cm3

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