ChemSpider 2D Image | 4-Methyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine | C7H11N7S

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

  • Molecular FormulaC7H11N7S
  • Average mass225.274 Da
  • Monoisotopic mass225.079666 Da
  • ChemSpider ID37053652

More details:

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

4H-1,2,4-Triazol-3-amine, 4-methyl-5-[[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]thio]- [ACD/Index Name]
4-Methyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amin [German] [ACD/IUPAC Name]
4-Methyl-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine [ACD/IUPAC Name]
4-Méthyl-5-{[(4-méthyl-4H-1,2,4-triazol-3-yl)méthyl]sulfanyl}-4H-1,2,4-triazol-3-amine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 526.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.4±32.9 °C
Index of Refraction: 1.801
Molar Refractivity: 59.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.87
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.01
Polar Surface Area: 113 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 138.3±7.0 cm3

Click to predict properties on the Chemicalize site


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