ChemSpider 2D Image | S-[(1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | C16H23NO3S2

S-[(1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate

  • Molecular FormulaC16H23NO3S2
  • Average mass341.489 Da
  • Monoisotopic mass341.111938 Da
  • ChemSpider ID59052681

More details:

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

Méthanesulfonothioate de S-[(1-hydroxy-2,2,5,5-tétraméthyl-4-phényl-2,5-dihydro-1H-pyrrol-3-yl)méthyle] [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, S-[(2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-1H-pyrrol-3-yl)methyl] ester [ACD/Index Name]
S-[(1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate [ACD/IUPAC Name]
S-[(1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-methansulfonothioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 501.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 256.9±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.93
ACD/KOC (pH 5.5): 711.92
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.24
ACD/KOC (pH 7.4): 715.13
Polar Surface Area: 91 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 279.6±3.0 cm3

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