ChemSpider 2D Image | 6-{[(3-Methylbutyl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine | C9H17N5S

6-{[(3-Methylbutyl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC9H17N5S
  • Average mass227.330 Da
  • Monoisotopic mass227.120468 Da
  • ChemSpider ID77431964

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[[(3-methylbutyl)thio]methyl]- [ACD/Index Name]
6-{[(3-Methylbutyl)sulfanyl]methyl}-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-{[(3-Methylbutyl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-{[(3-Méthylbutyl)sulfanyl]méthyl}-1,3,5-triazine-2,4-diamine [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: 459.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.8±29.3 °C
Index of Refraction: 1.613
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.67
ACD/KOC (pH 5.5): 232.15
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.97
ACD/KOC (pH 7.4): 252.87
Polar Surface Area: 116 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 186.9±3.0 cm3

Click to predict properties on the Chemicalize site


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