ChemSpider 2D Image | Methyl 3-{[3-(2H-1,2,3-triazol-2-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophenecarboxylate | C12H14N4O4S2

Methyl 3-{[3-(2H-1,2,3-triazol-2-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophenecarboxylate

  • Molecular FormulaC12H14N4O4S2
  • Average mass342.394 Da
  • Monoisotopic mass342.045654 Da
  • ChemSpider ID39183290

More details:






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

2-Thiophenecarboxylic acid, 3-[[3-(2H-1,2,3-triazol-2-yl)-1-pyrrolidinyl]sulfonyl]-, methyl ester [ACD/Index Name]
3-{[3-(2H-1,2,3-Triazol-2-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[3-(2H-1,2,3-triazol-2-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[3-(2H-1,2,3-triazol-2-yl)-1-pyrrolidinyl]sulfonyl}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2034347-32-3 [RN]
methyl 3-((3-(2H-1,2,3-triazol-2-yl)pyrrolidin-1-yl)sulfonyl)thiophene-2-carboxylate
methyl 3-{[3-(2H-1,2,3-triazol-2-yl)pyrrolidin-1-yl]sulfonyl}thiophene-2-carboxylate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 569.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 298.0±32.9 °C
Index of Refraction: 1.735
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.67
ACD/KOC (pH 5.5): 120.49
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 120.51
Polar Surface Area: 131 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 209.0±7.0 cm3

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