ChemSpider 2D Image | Methyl 3-({[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfamoyl)-2-thiophenecarboxylate | C14H20N6O4S2

Methyl 3-({[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfamoyl)-2-thiophenecarboxylate

  • Molecular FormulaC14H20N6O4S2
  • Average mass400.476 Da
  • Monoisotopic mass400.098755 Da
  • ChemSpider ID58386045

More details:

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

2-Thiophenecarboxylic acid, 3-[[[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-({[4,6-Bis(diméthylamino)-1,3,5-triazin-2-yl]méthyl}sulfamoyl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfamoyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-({[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfamoyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
methyl 3-(N-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methyl)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: 617.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.5±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.98
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 2.95
ACD/KOC (pH 5.5): 69.19
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.28
ACD/KOC (pH 7.4): 30.06
Polar Surface Area: 154 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 283.8±3.0 cm3

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