ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl 3-cyano-2-thiophenecarboxylate | C10H6N2O2S2

1,3-Thiazol-5-ylmethyl 3-cyano-2-thiophenecarboxylate

  • Molecular FormulaC10H6N2O2S2
  • Average mass250.297 Da
  • Monoisotopic mass249.987061 Da
  • ChemSpider ID35280803

More details:

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

1,3-Thiazol-5-ylmethyl 3-cyano-2-thiophenecarboxylate [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl-3-cyan-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, 3-cyano-, 5-thiazolylmethyl ester [ACD/Index Name]
3-Cyano-2-thiophènecarboxylate de 1,3-thiazol-5-ylméthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 465.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.1±27.3 °C
Index of Refraction: 1.643
Molar Refractivity: 61.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.10
ACD/KOC (pH 5.5): 254.31
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.10
ACD/KOC (pH 7.4): 254.37
Polar Surface Area: 119 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 169.4±5.0 cm3

Click to predict properties on the Chemicalize site


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