ChemSpider 2D Image | 6-Chloro-N-(1,1-dioxido-3-thietanyl)-1,3,5-triazine-2,4-diamine | C6H8ClN5O2S

6-Chloro-N-(1,1-dioxido-3-thietanyl)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC6H8ClN5O2S
  • Average mass249.678 Da
  • Monoisotopic mass249.008728 Da
  • ChemSpider ID97217795

More details:






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

1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dioxido-3-thietanyl)- [ACD/Index Name]
6-Chlor-N-(1,1-dioxido-3-thietanyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-Chloro-N-(1,1-dioxido-3-thietanyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-Chloro-N-(1,1-dioxydo-3-thiétanyl)-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 664.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.8±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 52.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.27
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.40
Polar Surface Area: 119 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 99.0±3.0 dyne/cm
Molar Volume: 136.4±3.0 cm3

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