ChemSpider 2D Image | 5,5-Dimethyl-4-(1-naphthyl)-4,5-dihydro-3H-1,2,4-triazole-3-thione | C14H13N3S

5,5-Dimethyl-4-(1-naphthyl)-4,5-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC14H13N3S
  • Average mass255.338 Da
  • Monoisotopic mass255.083023 Da
  • ChemSpider ID26946399

More details:

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

3H-1,2,4-Triazole-3-thione, 4,5-dihydro-5,5-dimethyl-4-(1-naphthalenyl)- [ACD/Index Name]
5,5-Dimethyl-4-(1-naphthyl)-4,5-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
5,5-Dimethyl-4-(1-naphthyl)-4,5-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
5,5-Diméthyl-4-(1-naphtyl)-4,5-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4,5-dihydro-5,5-dimethyl-4-(naphthalen-5-yl)-1,2,4-triazole-3-thione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 365.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 174.7±23.2 °C
Index of Refraction: 1.674
Molar Refractivity: 77.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.59
ACD/KOC (pH 5.5): 1855.90
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.59
ACD/KOC (pH 7.4): 1855.90
Polar Surface Area: 60 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 205.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement