ChemSpider 2D Image | 3-Chloro-4-[(2-chloro-1,3-thiazol-5-yl)methyl]-4H-1,2,4-triazole | C6H4Cl2N4S

3-Chloro-4-[(2-chloro-1,3-thiazol-5-yl)methyl]-4H-1,2,4-triazole

  • Molecular FormulaC6H4Cl2N4S
  • Average mass235.094 Da
  • Monoisotopic mass233.953369 Da
  • ChemSpider ID97040047

More details:

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

3-Chlor-4-[(2-chlor-1,3-thiazol-5-yl)methyl]-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-Chloro-4-[(2-chloro-1,3-thiazol-5-yl)methyl]-4H-1,2,4-triazole [ACD/IUPAC Name]
3-Chloro-4-[(2-chloro-1,3-thiazol-5-yl)méthyl]-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
Thiazole, 2-chloro-5-[(3-chloro-4H-1,2,4-triazol-4-yl)methyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 462.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.6±31.5 °C
Index of Refraction: 1.792
Molar Refractivity: 55.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.16
ACD/KOC (pH 5.5): 156.34
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.16
ACD/KOC (pH 7.4): 156.34
Polar Surface Area: 72 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 130.2±7.0 cm3

Click to predict properties on the Chemicalize site


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