ChemSpider 2D Image | Methyl 5-[(2-cyanoethyl)sulfamoyl]-1,3-thiazole-4-carboxylate | C8H9N3O4S2

Methyl 5-[(2-cyanoethyl)sulfamoyl]-1,3-thiazole-4-carboxylate

  • Molecular FormulaC8H9N3O4S2
  • Average mass275.305 Da
  • Monoisotopic mass275.003448 Da
  • ChemSpider ID50194188

More details:

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

4-Thiazolecarboxylic acid, 5-[[(2-cyanoethyl)amino]sulfonyl]-, methyl ester [ACD/Index Name]
5-[(2-Cyanoéthyl)sulfamoyl]-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(2-cyanoethyl)sulfamoyl]-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-[(2-cyanethyl)sulfamoyl]-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: 524.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.2±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 60.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.32
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.77
Polar Surface Area: 146 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 187.0±3.0 cm3

Click to predict properties on the Chemicalize site


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