ChemSpider 2D Image | 5-(Cyanomethyl)-2-(2-thienyl)-1,3-thiazole-4-carboxylic acid | C10H6N2O2S2

5-(Cyanomethyl)-2-(2-thienyl)-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC10H6N2O2S2
  • Average mass250.297 Da
  • Monoisotopic mass249.987061 Da
  • ChemSpider ID62147559

More details:

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

4-Thiazolecarboxylic acid, 5-(cyanomethyl)-2-(2-thienyl)- [ACD/Index Name]
5-(Cyanmethyl)-2-(2-thienyl)-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(Cyanomethyl)-2-(2-thienyl)-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-(cyanométhyl)-2-(2-thiényl)-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]
1904114-45-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 518.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.0±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 75.4±3.0 dyne/cm
Molar Volume: 165.6±3.0 cm3

Click to predict properties on the Chemicalize site


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