ChemSpider 2D Image | Methyl 5-formyl-1,3-thiazole-2-carboxylate | C6H5NO3S

Methyl 5-formyl-1,3-thiazole-2-carboxylate

  • Molecular FormulaC6H5NO3S
  • Average mass171.174 Da
  • Monoisotopic mass170.999008 Da
  • ChemSpider ID62134459

More details:

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

2-Thiazolecarboxylic acid, 5-formyl-, methyl ester [ACD/Index Name]
5-Formyl-1,3-thiazole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-formyl-1,3-thiazole-2-carboxylate [ACD/IUPAC Name]
Methyl-5-formyl-1,3-thiazol-2-carboxylat [German] [ACD/IUPAC Name]
1654755-04-0 [RN]
methyl5-formyl-1,3-thiazole-2-carboxylate
MFCD32711500

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

Density: 1.4±0.1 g/cm3
Boiling Point: 296.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 133.0±25.1 °C
Index of Refraction: 1.593
Molar Refractivity: 41.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 46.04
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 46.04
Polar Surface Area: 85 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 121.7±3.0 cm3

Click to predict properties on the Chemicalize site


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