ChemSpider 2D Image | 5-[(3S)-1-(Ethylsulfonyl)-3-piperidinyl]-4-(4-methylbenzyl)-4H-1,2,4-triazole-3-thiol | C17H24N4O2S2

5-[(3S)-1-(Ethylsulfonyl)-3-piperidinyl]-4-(4-methylbenzyl)-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC17H24N4O2S2
  • Average mass380.528 Da
  • Monoisotopic mass380.134064 Da
  • ChemSpider ID98606932

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4H-1,2,4-Triazole-3-thiol, 5-[(3S)-1-(ethylsulfonyl)-3-piperidinyl]-4-[(4-methylphenyl)methyl]- [ACD/Index Name]
5-[(3S)-1-(Ethylsulfonyl)-3-piperidinyl]-4-(4-methylbenzyl)-4H-1,2,4-triazol-3-thiol [German] [ACD/IUPAC Name]
5-[(3S)-1-(Ethylsulfonyl)-3-piperidinyl]-4-(4-methylbenzyl)-4H-1,2,4-triazole-3-thiol [ACD/IUPAC Name]
5-[(3S)-1-(Éthylsulfonyl)-3-pipéridinyl]-4-(4-méthylbenzyl)-4H-1,2,4-triazole-3-thiol [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.3±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 104.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 7.32
ACD/KOC (pH 5.5): 73.61
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.40
Polar Surface Area: 115 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 278.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement