ChemSpider 2D Image | 3-{[(4-Chloro-6-methyl-2-pyrimidinyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine | C8H9ClN6S

3-{[(4-Chloro-6-methyl-2-pyrimidinyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC8H9ClN6S
  • Average mass256.715 Da
  • Monoisotopic mass256.029785 Da
  • ChemSpider ID36294682

More details:

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

1H-1,2,4-Triazol-5-amine, 3-[[(4-chloro-6-methyl-2-pyrimidinyl)methyl]thio]- [ACD/Index Name]
3-{[(4-Chlor-6-methyl-2-pyrimidinyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
3-{[(4-Chloro-6-methyl-2-pyrimidinyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
3-{[(4-Chloro-6-méthyl-2-pyrimidinyl)méthyl]sulfanyl}-1H-1,2,4-triazol-5-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: 507.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.0±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 78.29
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.11
ACD/KOC (pH 7.4): 78.43
Polar Surface Area: 119 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 102.5±5.0 dyne/cm
Molar Volume: 162.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement