ChemSpider 2D Image | 2-Chloro-4-(1H-imidazol-1-yl)-6-(methylsulfanyl)-1,3,5-triazine | C7H6ClN5S

2-Chloro-4-(1H-imidazol-1-yl)-6-(methylsulfanyl)-1,3,5-triazine

  • Molecular FormulaC7H6ClN5S
  • Average mass227.674 Da
  • Monoisotopic mass227.003250 Da
  • ChemSpider ID40395435

More details:

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

1,3,5-Triazine, 2-chloro-4-(1H-imidazol-1-yl)-6-(methylthio)- [ACD/Index Name]
2-Chlor-4-(1H-imidazol-1-yl)-6-(methylsulfanyl)-1,3,5-triazin [German] [ACD/IUPAC Name]
2-Chloro-4-(1H-imidazol-1-yl)-6-(methylsulfanyl)-1,3,5-triazine [ACD/IUPAC Name]
2-Chloro-4-(1H-imidazol-1-yl)-6-(méthylsulfanyl)-1,3,5-triazine [French] [ACD/IUPAC Name]
1343422-07-0 [RN]
MFCD17237549

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

Density: 1.6±0.1 g/cm3
Boiling Point: 502.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±25.4 °C
Index of Refraction: 1.763
Molar Refractivity: 58.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.63
ACD/KOC (pH 5.5): 103.60
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.72
ACD/KOC (pH 7.4): 105.74
Polar Surface Area: 82 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 140.9±7.0 cm3

Click to predict properties on the Chemicalize site


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