ChemSpider 2D Image | Ethyl 2-{[(2,5-dimethyl-3-thienyl)sulfonyl]amino}-1,3-thiazole-4-carboxylate | C12H14N2O4S3

Ethyl 2-{[(2,5-dimethyl-3-thienyl)sulfonyl]amino}-1,3-thiazole-4-carboxylate

  • Molecular FormulaC12H14N2O4S3
  • Average mass346.446 Da
  • Monoisotopic mass346.011566 Da
  • ChemSpider ID30305143

More details:

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

2-{[(2,5-Diméthyl-3-thiényl)sulfonyl]amino}-1,3-thiazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[[(2,5-dimethyl-3-thienyl)sulfonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[(2,5-dimethyl-3-thienyl)sulfonyl]amino}-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-2-{[(2,5-dimethyl-3-thienyl)sulfonyl]amino}-1,3-thiazol-4-carboxylat [German] [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: 511.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 69.42
ACD/KOC (pH 5.5): 696.18
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 6.92
ACD/KOC (pH 7.4): 69.36
Polar Surface Area: 150 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 237.7±3.0 cm3

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