ChemSpider 2D Image | Methyl 5-iodo-2-methyl-1,3-thiazole-4-carboxylate | C6H6INO2S

Methyl 5-iodo-2-methyl-1,3-thiazole-4-carboxylate

  • Molecular FormulaC6H6INO2S
  • Average mass283.087 Da
  • Monoisotopic mass282.916382 Da
  • ChemSpider ID61006658

More details:

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

4-Thiazolecarboxylic acid, 5-iodo-2-methyl-, methyl ester [ACD/Index Name]
5-Iodo-2-méthyl-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-iodo-2-methyl-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl-5-iod-2-methyl-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
1822823-50-6 [RN]
MFCD28144496

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

Density: 1.9±0.1 g/cm3
Boiling Point: 295.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 132.3±21.8 °C
Index of Refraction: 1.622
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.50
ACD/KOC (pH 5.5): 224.19
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.50
ACD/KOC (pH 7.4): 224.19
Polar Surface Area: 67 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 148.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement