ChemSpider 2D Image | 1-Methyl-5-{[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-1H-1,2,4-triazole | C10H16N6S

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

  • Molecular FormulaC10H16N6S
  • Average mass252.339 Da
  • Monoisotopic mass252.115707 Da
  • ChemSpider ID35175340

More details:

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

1H-1,2,4-Triazole, 1-methyl-5-[[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]thio]- [ACD/Index Name]
1-Methyl-5-{[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-Methyl-5-{[(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-1H-1,2,4-triazole [ACD/IUPAC Name]
1-Méthyl-5-{[(5-méthyl-4-propyl-4H-1,2,4-triazol-3-yl)méthyl]sulfanyl}-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4516041/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.0±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 70.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.42
ACD/KOC (pH 5.5): 131.56
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.43
ACD/KOC (pH 7.4): 131.94
Polar Surface Area: 87 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 188.9±7.0 cm3

Click to predict properties on the Chemicalize site


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