ChemSpider 2D Image | 2-Chloro-4-(isopropylsulfanyl)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazine | C8H9ClN6S

2-Chloro-4-(isopropylsulfanyl)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazine

  • Molecular FormulaC8H9ClN6S
  • Average mass256.715 Da
  • Monoisotopic mass256.029785 Da
  • ChemSpider ID40395425

More details:

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

1,3,5-Triazine, 2-chloro-4-[(1-methylethyl)thio]-6-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
2-Chlor-4-(isopropylsulfanyl)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazin [German] [ACD/IUPAC Name]
2-Chloro-4-(isopropylsulfanyl)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazine [ACD/IUPAC Name]
2-Chloro-4-(isopropylsulfanyl)-6-(1H-1,2,4-triazol-1-yl)-1,3,5-triazine [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: 507.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.6±25.4 °C
Index of Refraction: 1.751
Molar Refractivity: 65.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.59
ACD/KOC (pH 5.5): 119.22
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 119.22
Polar Surface Area: 95 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 160.8±7.0 cm3

Click to predict properties on the Chemicalize site


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