ChemSpider 2D Image | 2-Amino-5-(phenylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-one | C16H12N4OS

2-Amino-5-(phenylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-one

  • Molecular FormulaC16H12N4OS
  • Average mass308.358 Da
  • Monoisotopic mass308.073181 Da
  • ChemSpider ID31125972

More details:

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

2-Amino-5-(phenylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-on [German] [ACD/IUPAC Name]
2-Amino-5-(phenylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-one [ACD/IUPAC Name]
2-Amino-5-(phénylsulfanyl)-1,9-dihydro-4H-pyrimido[4,5-b]indol-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[4,5-b]indol-4-one, 2-amino-3,9-dihydro-5-(phenylthio)- [ACD/Index Name]
1UE

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.811
Molar Refractivity: 85.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.03
ACD/KOC (pH 5.5): 502.44
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.50
ACD/KOC (pH 7.4): 576.19
Polar Surface Area: 109 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 198.8±7.0 cm3

Click to predict properties on the Chemicalize site


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