Found 196 results

Search term: MF = 'C_{21}H_{21}ClN_{4}S'
ChemSpider 2D Image | 5-(4-Chlorophenyl)-4-methyl-2-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione | C21H21ClN4S

5-(4-Chlorophenyl)-4-methyl-2-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC21H21ClN4S
  • Average mass396.936 Da
  • Monoisotopic mass396.117554 Da
  • ChemSpider ID22459242

More details:

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

3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-2-[(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl]-2,4-dihydro-4-methyl- [ACD/Index Name]
5-(4-Chlorophenyl)-4-methyl-2-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5-(4-Chlorophényl)-4-méthyl-2-[(4-phényl-3,6-dihydro-1(2H)-pyridinyl)méthyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
5-(4-Chlorphenyl)-4-methyl-2-[(4-phenyl-3,6-dihydro-1(2H)-pyridinyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 175.01
ACD/KOC (pH 5.5): 1239.68
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.92
ACD/KOC (pH 7.4): 1904.96
Polar Surface Area: 54 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 310.7±7.0 cm3

Click to predict properties on the Chemicalize site


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