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Search term: 1391053-24-9 (Found by synonym)
ChemSpider 2D Image | S-(3-{[4-(1-Pyrenyl)butanoyl]amino}propyl) methanesulfonothioate | C24H25NO3S2

S-(3-{[4-(1-Pyrenyl)butanoyl]amino}propyl) methanesulfonothioate

  • Molecular FormulaC24H25NO3S2
  • Average mass439.590 Da
  • Monoisotopic mass439.127594 Da
  • ChemSpider ID48063260

More details:

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

Méthanesulfonothioate de S-(3-{[4-(1-pyrényl)butanoyl]amino}propyle) [French] [ACD/IUPAC Name]
Methanesulfonothioic acid, S-[3-[[1-oxo-4-(1-pyrenyl)butyl]amino]propyl] ester [ACD/Index Name]
S-(3-{[4-(1-Pyrenyl)butanoyl]amino}propyl) methanesulfonothioate [ACD/IUPAC Name]
S-(3-{[4-(1-Pyrenyl)butanoyl]amino}propyl)-methansulfonothioat [German] [ACD/IUPAC Name]
1391053-24-9 [RN]
1-Pyrenebutyryl Aminopropyl Methanethiosulfonate
N-(3-methylsulfonylsulfanylpropyl)-4-pyren-1-ylbutanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 747.2±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.7±30.9 °C
Index of Refraction: 1.700
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3971.16
ACD/KOC (pH 5.5): 13112.88
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3971.16
ACD/KOC (pH 7.4): 13112.90
Polar Surface Area: 97 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 334.8±3.0 cm3

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