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

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

  • Molecular FormulaC12H18N4S2
  • Average mass282.428 Da
  • Monoisotopic mass282.097290 Da
  • ChemSpider ID30134454

More details:

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

3-Isopropyl-4-methyl-5-({[(5-methyl-1,3-thiazol-2-yl)methyl]sulfanyl}methyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-Isopropyl-4-methyl-5-({[(5-methyl-1,3-thiazol-2-yl)methyl]sulfanyl}methyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
3-Isopropyl-4-méthyl-5-({[(5-méthyl-1,3-thiazol-2-yl)méthyl]sulfanyl}méthyl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
Thiazole, 5-methyl-2-[[[[4-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-3-yl]methyl]thio]methyl]- [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: 442.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.3±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: 3.02
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.59
ACD/KOC (pH 5.5): 600.45
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.95
ACD/KOC (pH 7.4): 604.46
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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