ChemSpider 2D Image | Methyl 3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-2-thiophenecarboxylate | C14H12N2O6S2

Methyl 3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-2-thiophenecarboxylate

  • Molecular FormulaC14H12N2O6S2
  • Average mass368.385 Da
  • Monoisotopic mass368.013672 Da
  • ChemSpider ID30040175

More details:

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

2-Thiophenecarboxylic acid, 3-[[(2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)sulfonyl]amino]-, methyl ester [ACD/Index Name]
3-{[(3-Méthyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-2-thiophencarboxylat [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: 563.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.6±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.85
ACD/KOC (pH 5.5): 583.26
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 17.62
ACD/KOC (pH 7.4): 198.22
Polar Surface Area: 139 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 233.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement