ChemSpider 2D Image | Methyl 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxylate | C12H12N2O2S

Methyl 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxylate

  • Molecular FormulaC12H12N2O2S
  • Average mass248.301 Da
  • Monoisotopic mass248.061951 Da
  • ChemSpider ID34981156

More details:

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

2-[2-(Méthylamino)phényl]-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[2-(methylamino)phenyl]-, methyl ester [ACD/Index Name]
Methyl 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl-2-[2-(methylamino)phenyl]-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
anithiactin A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3353566/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 417.5±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 206.3±30.4 °C
Index of Refraction: 1.623
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.11
ACD/KOC (pH 5.5): 816.43
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.13
ACD/KOC (pH 7.4): 816.61
Polar Surface Area: 79 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 194.8±3.0 cm3

Click to predict properties on the Chemicalize site


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