ChemSpider 2D Image | Methyl 3-{[3-(3-methyl-1,2-oxazol-5-yl)propyl]sulfamoyl}-2-thiophenecarboxylate | C13H16N2O5S2

Methyl 3-{[3-(3-methyl-1,2-oxazol-5-yl)propyl]sulfamoyl}-2-thiophenecarboxylate

  • Molecular FormulaC13H16N2O5S2
  • Average mass344.406 Da
  • Monoisotopic mass344.050049 Da
  • ChemSpider ID39206422

More details:

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

2-Thiophenecarboxylic acid, 3-[[[3-(3-methyl-5-isoxazolyl)propyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-{[3-(3-Méthyl-1,2-oxazol-5-yl)propyl]sulfamoyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[3-(3-methyl-1,2-oxazol-5-yl)propyl]sulfamoyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[3-(3-methyl-1,2-oxazol-5-yl)propyl]sulfamoyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2034334-01-3 [RN]
methyl 3-(N-(3-(3-methylisoxazol-5-yl)propyl)sulfamoyl)thiophene-2-carboxylate
methyl 3-{[3-(3-methyl-1,2-oxazol-5-yl)propyl]sulfamoyl}thiophene-2-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.7±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.28
ACD/KOC (pH 5.5): 289.35
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.26
ACD/KOC (pH 7.4): 289.19
Polar Surface Area: 135 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 253.4±3.0 cm3

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