ChemSpider 2D Image | 6-[(6-Hepten-1-ylsulfanyl)methyl]-1,3,5-triazine-2,4-diamine | C11H19N5S

6-[(6-Hepten-1-ylsulfanyl)methyl]-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC11H19N5S
  • Average mass253.367 Da
  • Monoisotopic mass253.136108 Da
  • ChemSpider ID77437005

More details:

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

1,3,5-Triazine-2,4-diamine, 6-[(6-hepten-1-ylthio)methyl]- [ACD/Index Name]
6-[(6-Hepten-1-ylsulfanyl)methyl]-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-[(6-Hepten-1-ylsulfanyl)methyl]-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-[(6-Heptén-1-ylsulfanyl)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: 492.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.5±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 43.35
ACD/KOC (pH 5.5): 504.35
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.20
ACD/KOC (pH 7.4): 549.12
Polar Surface Area: 116 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 214.6±3.0 cm3

Click to predict properties on the Chemicalize site


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