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

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

  • Molecular FormulaC12H18N4S2
  • Average mass282.428 Da
  • Monoisotopic mass282.097290 Da
  • ChemSpider ID22380837

More details:

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

3-Isopropyl-5-{[(2-propyl-1,3-thiazol-4-yl)methyl]sulfanyl}-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-Isopropyl-5-{[(2-propyl-1,3-thiazol-4-yl)methyl]sulfanyl}-1H-1,2,4-triazole [ACD/IUPAC Name]
3-Isopropyl-5-{[(2-propyl-1,3-thiazol-4-yl)méthyl]sulfanyl}-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
Thiazole, 4-[[[5-(1-methylethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-2-propyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 470.4±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.3±29.3 °C
Index of Refraction: 1.596
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.79
ACD/KOC (pH 5.5): 511.93
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.18
ACD/KOC (pH 7.4): 504.70
Polar Surface Area: 108 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 227.2±5.0 cm3

Click to predict properties on the Chemicalize site


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