Found 2 results

Search term: NCLIYFFGSOBXFX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[(4-Methylphenyl)sulfonyl]-3-[(1-~2~H)propadienyl]-2,5-dihydro-1H-pyrrole | C14H14DNO2S

1-[(4-Methylphenyl)sulfonyl]-3-[(1-2H)propadienyl]-2,5-dihydro-1H-pyrrole

  • Molecular FormulaC14H14DNO2S
  • Average mass262.346 Da
  • Monoisotopic mass262.088623 Da
  • ChemSpider ID17242669

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[(4-Methylphenyl)sulfonyl]-3-[(1-2H)propadienyl]-2,5-dihydro-1H-pyrrol [German] [ACD/IUPAC Name]
1-[(4-Methylphenyl)sulfonyl]-3-[(1-2H)propadienyl]-2,5-dihydro-1H-pyrrole [ACD/IUPAC Name]
1-[(4-Méthylphényl)sulfonyl]-3-[(1-2H)propadiényl]-2,5-dihydro-1H-pyrrole [French] [ACD/IUPAC Name]
1H-Pyrrole, 2,5-dihydro-1-[(4-methylphenyl)sulfonyl]-3-(1,2-propadienyl-1-d)- [ACD/Index 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: 415.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 205.0±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.15
ACD/KOC (pH 5.5): 865.99
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.15
ACD/KOC (pH 7.4): 865.99
Polar Surface Area: 46 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 210.6±3.0 cm3

Click to predict properties on the Chemicalize site


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