ChemSpider 2D Image | 15-(Phenylsulfanyl)-2,3,5,6,8,9,11,12-octahydro-14H-[1,4,7,10,13]pentaoxacyclopentadecino[2,3-a]phenothiazin-14-one | C26H25NO6S2

15-(Phenylsulfanyl)-2,3,5,6,8,9,11,12-octahydro-14H-[1,4,7,10,13]pentaoxacyclopentadecino[2,3-a]phenothiazin-14-one

  • Molecular FormulaC26H25NO6S2
  • Average mass511.610 Da
  • Monoisotopic mass511.112335 Da
  • ChemSpider ID8634459

More details:

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

14H-1,4,7,10,13-Pentaoxacyclopentadecino[2,3-a]phenothiazin-14-one, 2,3,5,6,8,9,11,12-octahydro-15-(phenylthio)- [ACD/Index Name]
15-(Phenylsulfanyl)-2,3,5,6,8,9,11,12-octahydro-14H-[1,4,7,10,13]pentaoxacyclopentadecino[2,3-a]phenothiazin-14-on [German] [ACD/IUPAC Name]
15-(Phenylsulfanyl)-2,3,5,6,8,9,11,12-octahydro-14H-[1,4,7,10,13]pentaoxacyclopentadecino[2,3-a]phenothiazin-14-one [ACD/IUPAC Name]
15-(Phénylsulfanyl)-2,3,5,6,8,9,11,12-octahydro-14H-[1,4,7,10,13]pentaoxacyclopentadécino[2,3-a]phénothiazin-14-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.0±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.98
ACD/KOC (pH 5.5): 1032.46
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.98
ACD/KOC (pH 7.4): 1032.51
Polar Surface Area: 126 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 371.5±7.0 cm3

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