ChemSpider 2D Image | 2-[4-(Methylsulfanyl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine | C17H15BN2S

2-[4-(Methylsulfanyl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

  • Molecular FormulaC17H15BN2S
  • Average mass290.190 Da
  • Monoisotopic mass290.104889 Da
  • ChemSpider ID30656721

More details:

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

1H-Naphtho[1,8-de]-1,3,2-diazaborine, 2,3-dihydro-2-[4-(methylthio)phenyl]- [ACD/Index Name]
2-[4-(Methylsulfanyl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinin [German] [ACD/IUPAC Name]
2-[4-(Methylsulfanyl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine [ACD/IUPAC Name]
2-[4-(Méthylsulfanyl)phényl]-2,3-dihydro-1H-naphto[1,8-de][1,3,2]diazaborinine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 480.0±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.1±29.3 °C
Index of Refraction: 1.707
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 49 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 232.0±5.0 cm3

Click to predict properties on the Chemicalize site


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