ChemSpider 2D Image | Dimethyl (2E,3E)-bis(3-methyl-1,3-benzothiazol-2(3H)-ylidene)succinate | C22H20N2O4S2

Dimethyl (2E,3E)-bis(3-methyl-1,3-benzothiazol-2(3H)-ylidene)succinate

  • Molecular FormulaC22H20N2O4S2
  • Average mass440.535 Da
  • Monoisotopic mass440.086456 Da
  • ChemSpider ID30658636

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,3E)-Bis(3-méthyl-1,3-benzothiazol-2(3H)-ylidène)succinate de diméthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-bis(3-methyl-2(3H)-benzothiazolylidene)-, dimethyl ester, (2E,3E)- [ACD/Index Name]
Dimethyl (2E,3E)-bis(3-methyl-1,3-benzothiazol-2(3H)-ylidene)succinate [ACD/IUPAC Name]
Dimethyl-(2E,3E)-bis(3-methyl-1,3-benzothiazol-2(3H)-yliden)succinat [German] [ACD/IUPAC 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: 472.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.4±28.7 °C
Index of Refraction: 1.671
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.86
ACD/KOC (pH 5.5): 2961.88
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 496.86
ACD/KOC (pH 7.4): 2961.88
Polar Surface Area: 110 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 320.3±3.0 cm3

Click to predict properties on the Chemicalize site


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