ChemSpider 2D Image | Ethyl 3-amino-4-cyano-5-(methylsulfonyl)-2-thiophenecarboxylate | C9H10N2O4S2

Ethyl 3-amino-4-cyano-5-(methylsulfonyl)-2-thiophenecarboxylate

  • Molecular FormulaC9H10N2O4S2
  • Average mass274.317 Da
  • Monoisotopic mass274.008209 Da
  • ChemSpider ID24540437

More details:

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

2-Thiophenecarboxylic acid, 3-amino-4-cyano-5-(methylsulfonyl)-, ethyl ester [ACD/Index Name]
3-Amino-4-cyano-5-(méthylsulfonyl)-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-amino-4-cyano-5-(methylsulfonyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-3-amino-4-cyan-5-(methylsulfonyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
ethyl 3-amino-4-cyano-5-(methylsulfonyl)thiophene-2-carboxylate
ETHYL-3-AMINO-4-CYANO-5-(METHYLSULFONYL)THIOPHENE-2-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: 581.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.6±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 115.82
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 115.82
Polar Surface Area: 147 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 181.6±5.0 cm3

Click to predict properties on the Chemicalize site


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