ChemSpider 2D Image | Methyl 4-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]-1,2-thiazole-3-carboxylate | C12H20N2O5S2

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

  • Molecular FormulaC12H20N2O5S2
  • Average mass336.428 Da
  • Monoisotopic mass336.081360 Da
  • ChemSpider ID65135153

More details:

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

3-Isothiazolecarboxylic acid, 4-[[(5-hydroxy-2,2-dimethylpentyl)amino]sulfonyl]-, methyl ester [ACD/Index Name]
4-[(5-Hydroxy-2,2-diméthylpentyl)sulfamoyl]-1,2-thiazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]-1,2-thiazole-3-carboxylate [ACD/IUPAC Name]
Methyl-4-[(5-hydroxy-2,2-dimethylpentyl)sulfamoyl]-1,2-thiazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 228.0±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 80.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.87
ACD/KOC (pH 5.5): 91.61
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.85
ACD/KOC (pH 7.4): 91.32
Polar Surface Area: 142 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 257.2±3.0 cm3

Click to predict properties on the Chemicalize site


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