ChemSpider 2D Image | Methyl 2-(1,4-dithian-2-yl)-1,3-thiazole-4-carboxylate | C9H11NO2S3

Methyl 2-(1,4-dithian-2-yl)-1,3-thiazole-4-carboxylate

  • Molecular FormulaC9H11NO2S3
  • Average mass261.384 Da
  • Monoisotopic mass260.995178 Da
  • ChemSpider ID41880622

More details:

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

2-(1,4-Dithian-2-yl)-1,3-thiazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-(1,4-dithian-2-yl)-, methyl ester [ACD/Index Name]
Methyl 2-(1,4-dithian-2-yl)-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
Methyl-2-(1,4-dithian-2-yl)-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
1550314-16-3 [RN]
MFCD24206229

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

Density: 1.4±0.1 g/cm3
Boiling Point: 419.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 207.7±28.7 °C
Index of Refraction: 1.628
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.28
ACD/KOC (pH 5.5): 463.95
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.28
ACD/KOC (pH 7.4): 463.95
Polar Surface Area: 118 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 190.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement