ChemSpider 2D Image | 5-(3-Pyridinyl)-4-(1,3-thiazol-2-ylmethyl)-4H-1,2,4-triazole-3-thiol | C11H9N5S2

5-(3-Pyridinyl)-4-(1,3-thiazol-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC11H9N5S2
  • Average mass275.353 Da
  • Monoisotopic mass275.029938 Da
  • ChemSpider ID33946176

More details:

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

4H-1,2,4-Triazole-3-thiol, 5-(3-pyridinyl)-4-(2-thiazolylmethyl)- [ACD/Index Name]
5-(3-Pyridinyl)-4-(1,3-thiazol-2-ylmethyl)-4H-1,2,4-triazol-3-thiol [German] [ACD/IUPAC Name]
5-(3-Pyridinyl)-4-(1,3-thiazol-2-ylmethyl)-4H-1,2,4-triazole-3-thiol [ACD/IUPAC Name]
5-(3-Pyridinyl)-4-(1,3-thiazol-2-ylméthyl)-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: 1.6±0.1 g/cm3
Boiling Point: 510.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.6±32.9 °C
Index of Refraction: 1.818
Molar Refractivity: 76.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 66.8±7.0 dyne/cm
Molar Volume: 177.0±7.0 cm3

Click to predict properties on the Chemicalize site


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