ChemSpider 2D Image | 7-Amino-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one | C9H7N3O3S

7-Amino-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one

  • Molecular FormulaC9H7N3O3S
  • Average mass237.235 Da
  • Monoisotopic mass237.020813 Da
  • ChemSpider ID27312372

More details:

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

1,3-Dioxolo[4,5-g]quinazolin-8(5H)-one, 7-amino-6,7-dihydro-6-thioxo- [ACD/Index Name]
7-Amino-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]chinazolin-8(5H)-on [German] [ACD/IUPAC Name]
7-Amino-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one [ACD/IUPAC Name]
7-Amino-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one [French] [ACD/IUPAC Name]
1351824-28-6 [RN]
7-Amino-6-mercapto-7H-[1,3]dioxolo[4,5-g]quinazolin-8-one
7-Amino-6-thioxo-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
MFCD20747181

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

Density: 1.8±0.1 g/cm3
Boiling Point: 453.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.8±31.5 °C
Index of Refraction: 1.826
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.45
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 39.45
Polar Surface Area: 109 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 114.2±5.0 dyne/cm
Molar Volume: 133.5±5.0 cm3

Click to predict properties on the Chemicalize site


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