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Search term: FPTCGMGLTQPTGE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | CH5015765 | C16H13ClN4OS

CH5015765

  • Molecular FormulaC16H13ClN4OS
  • Average mass344.819 Da
  • Monoisotopic mass344.049866 Da
  • ChemSpider ID26326223

More details:

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

1,3,5-Triazin-2-amine, 4-(5-chloro-1H,3H-naphtho[1,8-cd]pyran-6-yl)-6-(methylthio)- [ACD/Index Name]
4-(5-Chlor-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amin [German] [ACD/IUPAC Name]
4-(5-Chloro-1H,3H-benzo[de]isochromen-6-yl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine [ACD/IUPAC Name]
4-(5-Chloro-1H,3H-benzo[de]isochromén-6-yl)-6-(méthylsulfanyl)-1,3,5-triazin-2-amine [French] [ACD/IUPAC Name]
959766-47-3 [RN]
CH5015765
4-(5-chloro-1,3-dihydrobenzo[de]isochromen-6-yl)-6-(methylthio)-1,3,5-triazin-2-amine
B2X

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

Density: 1.5±0.1 g/cm3
Boiling Point: 668.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.2±34.3 °C
Index of Refraction: 1.755
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.88
ACD/KOC (pH 5.5): 1641.01
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.20
ACD/KOC (pH 7.4): 1643.46
Polar Surface Area: 99 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 225.8±5.0 cm3

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