ChemSpider 2D Image | (5-Oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-chloro-2-thiophenecarboxylate | C12H7ClN2O3S2

(5-Oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-chloro-2-thiophenecarboxylate

  • Molecular FormulaC12H7ClN2O3S2
  • Average mass326.779 Da
  • Monoisotopic mass325.958649 Da
  • ChemSpider ID128020596

More details:

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

(5-Oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-chloro-2-thiophenecarboxylate [ACD/IUPAC Name]
(5-Oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-3-chlor-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, 3-chloro-, (5-oxo-5H-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester [ACD/Index Name]
3-Chloro-2-thiophènecarboxylate de (5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 524.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±32.9 °C
Index of Refraction: 1.763
Molar Refractivity: 80.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.12
ACD/KOC (pH 5.5): 169.37
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.12
ACD/KOC (pH 7.4): 169.37
Polar Surface Area: 113 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 195.2±7.0 cm3

Click to predict properties on the Chemicalize site


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