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Search term: UQYGYYROTMUMSD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4,5-Dimethyl-2-{[({4-[(methylsulfonyl)amino]benzyl}carbamothioyl)amino]methyl}benzyl pivalate | C24H33N3O4S2

4,5-Dimethyl-2-{[({4-[(methylsulfonyl)amino]benzyl}carbamothioyl)amino]methyl}benzyl pivalate

  • Molecular FormulaC24H33N3O4S2
  • Average mass491.667 Da
  • Monoisotopic mass491.191254 Da
  • ChemSpider ID23141374

More details:

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

4,5-Dimethyl-2-{[({4-[(methylsulfonyl)amino]benzyl}carbamothioyl)amino]methyl}benzyl pivalate [ACD/IUPAC Name]
4,5-Dimethyl-2-{[({4-[(methylsulfonyl)amino]benzyl}carbamothioyl)amino]methyl}benzylpivalat [German] [ACD/IUPAC Name]
Pivalate de 4,5-diméthyl-2-{[({4-[(méthylsulfonyl)amino]benzyl}carbamothioyl)amino]méthyl}benzyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, [4,5-dimethyl-2-[[[[[[4-[(methylsulfonyl)amino]phenyl]methyl]amino]thioxomethyl]amino]methyl]phenyl]methyl ester [ACD/Index Name]
2,2-Dimethyl-propionic acid 2-[3-(4-methanesulfonylamino-benzyl)-thioureidomethyl]-4,5-dimethyl-benzyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 610.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 136.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 9.63
ACD/KOC (pH 5.5): 34.26
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 7.89
ACD/KOC (pH 7.4): 28.09
Polar Surface Area: 144 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 408.6±7.0 cm3

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