ChemSpider 2D Image | Methyl 5-{[(3-cyano-2-thienyl)carbonyl]amino}-3-thiophenecarboxylate | C12H8N2O3S2

Methyl 5-{[(3-cyano-2-thienyl)carbonyl]amino}-3-thiophenecarboxylate

  • Molecular FormulaC12H8N2O3S2
  • Average mass292.333 Da
  • Monoisotopic mass291.997620 Da
  • ChemSpider ID30500841

More details:

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

3-Thiophenecarboxylic acid, 5-[[(3-cyano-2-thienyl)carbonyl]amino]-, methyl ester [ACD/Index Name]
5-{[(3-Cyano-2-thiényl)carbonyl]amino}-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[(3-cyano-2-thienyl)carbonyl]amino}-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-{[(3-cyan-2-thienyl)carbonyl]amino}-3-thiophencarboxylat [German] [ACD/IUPAC Name]
METHYL 5-(3-CYANOTHIOPHENE-2-AMIDO)THIOPHENE-3-CARBOXYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 416.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.8±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 71.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.98
ACD/KOC (pH 5.5): 368.04
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.97
ACD/KOC (pH 7.4): 368.02
Polar Surface Area: 136 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 197.0±5.0 cm3

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