ChemSpider 2D Image | Methyl 4-chloro-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}-1,3-thiazole-5-carboxylate | C9H10ClN5O2S

Methyl 4-chloro-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}-1,3-thiazole-5-carboxylate

  • Molecular FormulaC9H10ClN5O2S
  • Average mass287.726 Da
  • Monoisotopic mass287.024384 Da
  • ChemSpider ID39599751

More details:

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

4-Chloro-2-{[(4-méthyl-4H-1,2,4-triazol-3-yl)méthyl]amino}-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-chloro-2-[[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-chloro-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-chlor-2-{[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amino}-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 483.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.4±31.5 °C
Index of Refraction: 1.718
Molar Refractivity: 69.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 98.08
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 98.24
Polar Surface Area: 110 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 176.0±7.0 cm3

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