ChemSpider 2D Image | 2-[4,5-Bis(butylsulfanyl)-1,3-dithiol-2-ylidene]-5-methyl-5H-[1,3]dithiolo[4,5-c]pyrrole-4-carbaldehyde | C18H23NOS6

2-[4,5-Bis(butylsulfanyl)-1,3-dithiol-2-ylidene]-5-methyl-5H-[1,3]dithiolo[4,5-c]pyrrole-4-carbaldehyde

  • Molecular FormulaC18H23NOS6
  • Average mass461.771 Da
  • Monoisotopic mass461.010376 Da
  • ChemSpider ID30656382

More details:

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

2-[4,5-Bis(butylsulfanyl)-1,3-dithiol-2-yliden]-5-methyl-5H-[1,3]dithiolo[4,5-c]pyrrol-4-carbaldehyd [German] [ACD/IUPAC Name]
2-[4,5-Bis(butylsulfanyl)-1,3-dithiol-2-ylidene]-5-methyl-5H-[1,3]dithiolo[4,5-c]pyrrole-4-carbaldehyde [ACD/IUPAC Name]
2-[4,5-Bis(butylsulfanyl)-1,3-dithiol-2-ylidène]-5-méthyl-5H-[1,3]dithiolo[4,5-c]pyrrole-4-carbaldéhyde [French] [ACD/IUPAC Name]
5H-1,3-Dithiolo[4,5-c]pyrrole-4-carboxaldehyde, 2-[4,5-bis(butylthio)-1,3-dithiol-2-ylidene]-5-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 506.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.9±30.1 °C
Index of Refraction: 1.712
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7438.73
ACD/KOC (pH 5.5): 20549.91
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7438.73
ACD/KOC (pH 7.4): 20549.91
Polar Surface Area: 174 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 329.3±7.0 cm3

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