ChemSpider 2D Image | 3-({[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]sulfanyl}methyl)-4-ethyl-5-methyl-4H-1,2,4-triazole | C12H18N4S2

3-({[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]sulfanyl}methyl)-4-ethyl-5-methyl-4H-1,2,4-triazole

  • Molecular FormulaC12H18N4S2
  • Average mass282.428 Da
  • Monoisotopic mass282.097290 Da
  • ChemSpider ID30133283

More details:

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

3-({[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]sulfanyl}methyl)-4-ethyl-5-methyl-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-({[(2,4-Dimethyl-1,3-thiazol-5-yl)methyl]sulfanyl}methyl)-4-ethyl-5-methyl-4H-1,2,4-triazole [ACD/IUPAC Name]
3-({[(2,4-Diméthyl-1,3-thiazol-5-yl)méthyl]sulfanyl}méthyl)-4-éthyl-5-méthyl-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
Thiazole, 5-[[[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]thio]methyl]-2,4-dimethyl- [ACD/Index 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: 460.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.5±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.61
ACD/KOC (pH 5.5): 498.90
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.50
ACD/KOC (pH 7.4): 509.57
Polar Surface Area: 97 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 219.3±7.0 cm3

Click to predict properties on the Chemicalize site


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