ChemSpider 2D Image | 4-(2-Methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazin-2(1H)-one | C8H13N3OS

4-(2-Methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC8H13N3OS
  • Average mass199.273 Da
  • Monoisotopic mass199.077927 Da
  • ChemSpider ID30653711

More details:

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

1,3,5-Triazin-2(1H)-one, 6-(1,1-dimethylethyl)-4-(methylthio)- [ACD/Index Name]
4-(2-Methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-(2-Méthyl-2-propanyl)-6-(méthylsulfanyl)-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 54.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 41.24
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.63
Polar Surface Area: 79 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 160.6±7.0 cm3

Click to predict properties on the Chemicalize site


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