ChemSpider 2D Image | 5-(2-Thienyl)-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazole-3-thiol | C12H11N3S3

5-(2-Thienyl)-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC12H11N3S3
  • Average mass293.431 Da
  • Monoisotopic mass293.011505 Da
  • ChemSpider ID24337599

More details:

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

4H-1,2,4-Triazole-3-thiol, 5-(2-thienyl)-4-[2-(2-thienyl)ethyl]- [ACD/Index Name]
5-(2-Thienyl)-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazol-3-thiol [German] [ACD/IUPAC Name]
5-(2-Thienyl)-4-[2-(2-thienyl)ethyl]-4H-1,2,4-triazole-3-thiol [ACD/IUPAC Name]
5-(2-Thiényl)-4-[2-(2-thiényl)éthyl]-4H-1,2,4-triazole-3-thiol [French] [ACD/IUPAC Name]
5-(thiophen-2-yl)-4-[2-(thiophen-2-yl)ethyl]-4H-1,2,4-triazole-3-thiol

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

Density: 1.5±0.0 g/cm3
Boiling Point: 503.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 77.3±0.0 kJ/mol
Flash Point: 258.3±0.0 °C
Index of Refraction: 1.781
Molar Refractivity: 83.2±0.0 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 93.86
ACD/KOC (pH 5.5): 466.79
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 3.88
ACD/KOC (pH 7.4): 19.30
Polar Surface Area: 126 Å2
Polarizability: 33.0±0.0 10-24cm3
Surface Tension: 61.3±0.0 dyne/cm
Molar Volume: 198.2±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement