ChemSpider 2D Image | Ethyl 3-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2-oxazole-5-carboxylate | C9H10N4O3S2

Ethyl 3-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2-oxazole-5-carboxylate

  • Molecular FormulaC9H10N4O3S2
  • Average mass286.331 Da
  • Monoisotopic mass286.019440 Da
  • ChemSpider ID32082995

More details:

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

3-{[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]méthyl}-1,2-oxazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Isoxazolecarboxylic acid, 3-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2-oxazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-3-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2-oxazol-5-carboxylat [German] [ACD/IUPAC Name]
3-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanylmethyl)-isoxazole-5-carboxylic acid ethyl ester
ethyl 3-{[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl}isoxazole-5-carboxylate
MFCD28165848

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

Density: 1.5±0.1 g/cm3
Boiling Point: 529.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.7±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.84
ACD/KOC (pH 5.5): 91.18
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 3.84
ACD/KOC (pH 7.4): 91.23
Polar Surface Area: 158 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 187.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement