ChemSpider 2D Image | Dimethyl (2E,2'E)-4,4'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)bis(2-butenoate) | C12H14N2O4S3

Dimethyl (2E,2'E)-4,4'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)bis(2-butenoate)

  • Molecular FormulaC12H14N2O4S3
  • Average mass346.446 Da
  • Monoisotopic mass346.011566 Da
  • ChemSpider ID64875951

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,2'E)-4,4'-(1,3,4-Thiadiazole-2,5-diyldisulfanediyl)bis(2-buténoate) de diméthyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 4,4'-[1,3,4-thiadiazole-2,5-diylbis(thio)]bis-, dimethyl ester, (2E,2'E)- [ACD/Index Name]
Dimethyl (2E,2'E)-4,4'-(1,3,4-thiadiazole-2,5-diyldisulfanediyl)bis(2-butenoate) [ACD/IUPAC Name]
Dimethyl-(2E,2'E)-4,4'-(1,3,4-thiadiazol-2,5-diyldisulfandiyl)bis(2-butenoat) [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: 483.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.2±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.20
ACD/KOC (pH 5.5): 907.65
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.20
ACD/KOC (pH 7.4): 907.65
Polar Surface Area: 157 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 250.5±5.0 cm3

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